SCHEMBL13974502

SCHEMBL13974502

Cc1ccc(-c2cc(N)n(C)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.66
▸ SMN1; SMN2 Q16637 9/20 0.66
▸ NPC1 O15118 7/20 0.66
▸ RAB9A P51151 7/20 0.66
▸ MEN1 O00255 5/20 0.66
▸ KMT2A Q03164 5/20 0.66
▸ TP53 P04637 3/20 0.66
▸ CYP2C19 P33261 2/20 0.66
▸ CYP1A2 P05177 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ ALDH1A1 P00352 7/20 0.62
▸ KDM4E B2RXH2 5/20 0.62
▸ LMNA P02545 4/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ STAT1 P42224 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ GAA P10253 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ POLB P06746 2/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10112206 0.82 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2411656 0.82 MEN1 (0.58) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13860592 0.82 ESRRA (0.53) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10112053 0.82 SMN1; SMN2 (0.59) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL5306918 0.82 MAPT (0.46) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL14996633 0.82 SMN1; SMN2 (0.51) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL167998 0.82 SMN1; SMN2 (0.56) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL5330573 0.81 MAPT (0.46) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2685502 0.80 KDR (0.53) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13974490 0.79 RAB9A (0.65) MAPTSMN1; SMN2NPC1RAB9AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312722-B2 Hsp90 inhibitors and uses thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2022-04-26 — — US disclosed
WO-2021188907-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 — — WO disclosed
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2021-01-12 — — US disclosed
US-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2020-11-12 — — US disclosed
WO-2020227368-A1 HSP90 INHIBITORS AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2020-11-12 — — WO disclosed
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2019-09-05 — — US disclosed
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2019-07-16 — — US disclosed
US-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-06-18 — — US disclosed
US-9981959-B2 Thiazolyl and oxazolyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-29 — — US disclosed
US-9981959-B2 Thiazolyl and oxazolyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-29 — — US disclosed
US-20150166564-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS Array BioPharama Inc. (US) 2015-06-18 — — US disclosed
US-20150166564-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS Array BioPharama Inc. (US) 2015-06-18 — — US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 — — US disclosed
WO-2014078331-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 — — WO disclosed
WO-2014078328-A1 N-BICYCLIC ARYL,N'-PYRAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 — — WO disclosed
WO-2014078322-A1 THIAZOLYL AND OXAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 — — WO disclosed
WO-2014078325-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 — — WO disclosed
WO-2014078408-A1 BICYCLIC HETEROARYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 — — WO disclosed
WO-2014078454-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2014-05-22 — — WO disclosed
WO-2012158413-A2 PYRROLIDINYL UREA AND PYRROLIDINYL THIOUREA COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-22 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS NR5A2, NR5A1, GPER1 MAPT 4520/4885SMN1; SMN2 4595/4885NPC1 706/4885
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 MAPT 464/4885SMN1; SMN2 2313/4885NPC1 3749/4885
US-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors RET, TK1, DSTYK MAPT 118/4885SMN1; SMN2 1881/4885NPC1 3424/4885
US-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF HSP90AB1, HSP90B1, HSP90AA1 MAPT 494/4885SMN1; SMN2 4707/4885NPC1 2456/4885
US-20150166564-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK MAPT 118/4885SMN1; SMN2 1881/4885NPC1 3424/4885
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 MAPT 464/4885SMN1; SMN2 2313/4885NPC1 3749/4885
US-11312722-B2 Hsp90 inhibitors and uses thereof HSP90AB1, HSP90B1, HSP90AA1 MAPT 494/4885SMN1; SMN2 4707/4885NPC1 2456/4885
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 MAPT 464/4885SMN1; SMN2 2313/4885NPC1 3749/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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