SCHEMBL13858697

SCHEMBL13858697

Cc1c(Br)nn(-c2ccccc2)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 13/20 0.53
RAB9A P51151 11/20 0.53
NPC1 O15118 10/20 0.53
MAPT P10636 11/20 0.51
TDP1 Q9NUW8 6/20 0.51
HPGD P15428 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46

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
SCHEMBL2461662 0.81 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1MAPTTDP1
SCHEMBL9026186 0.81 MAPK1 (0.43) SMN1; SMN2RAB9ANPC1MAPTTDP1
SCHEMBL1143440 0.78 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ANPC1MAPTTDP1
SCHEMBL21622380 0.78 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1MAPTTDP1
SCHEMBL15717408 0.78 MAPK1 (0.41) SMN1; SMN2RAB9ANPC1MAPTTDP1
SCHEMBL13698632 0.76 RAB9A (0.60) SMN1; SMN2RAB9ANPC1MAPTTDP1
SCHEMBL15731746 0.75 GAA (0.51) SMN1; SMN2RAB9ANPC1MAPTTDP1
SCHEMBL13858699 0.75 TDP1 (0.52) SMN1; SMN2RAB9ANPC1MAPTTDP1
SCHEMBL13975147 0.75 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1MAPTTDP1
SCHEMBL11574230 0.75 GAA (0.63) SMN1; SMN2RAB9ANPC1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108329246-B Pyrrolidinyl urea and pyrrolidinyl thiourea compounds as TRKA kinase inhibitors 阵列生物制药公司 2021-02-26 CN 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-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-10851080-B2 Methods of treatment using pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds ARRAY BIOPHARMA INC. (US) 2020-12-01 US disclosed
US-10851080-B2 Methods of treatment using pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds ARRAY BIOPHARMA INC. (US) 2020-12-01 US disclosed
CN-107857755-B N-pyrrolidinyl, N' -pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TRKA kinase inhibitors 阵列生物制药公司 2020-10-27 CN disclosed
EP-3409670-B1 N-PYRROLIDINYL, N'-PYRAZOLYL- UREA COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-09-09 EP disclosed
EP-3409670-B1 N-PYRROLIDINYL, N'-PYRAZOLYL- UREA COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-09-09 EP 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-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2019-09-05 US 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-2014078323-A1 N-PYRROLIDINYL, 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-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-2014078408-A1 BICYCLIC HETEROARYL 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-2014078417-A1 PYRAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
WO-2014078323-A1 N-PYRROLIDINYL, N'-PYRAZOLYL- UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS 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
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 (3 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-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 SMN1; SMN2 2313/4885RAB9A 2475/4885NPC1 3749/4885
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 SMN1; SMN2 2313/4885RAB9A 2475/4885NPC1 3749/4885
US-10851080-B2 Methods of treatment using pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds RNMT, MTAP, GMPS SMN1; SMN2 2391/4885RAB9A 2354/4885NPC1 3659/4885

“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.