SCHEMBL828561

SCHEMBL828561

CCN(C(=O)OC(C)(C)C)c1cc(C)ccn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
PKM P14618 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
SSTR4 P31391 1/20 0.39
P2RX3 P56373 1/20 0.38
F2 P00734 4/20 0.37
SYK P43405 1/20 0.37
ALDH1A1 P00352 2/20 0.37
OPRM1 P35372 1/20 0.37
AAK1 Q2M2I8 1/20 0.35
POLQ O75417 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPK14 Q16539 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL828100 0.85 F2 (0.40) NPC1PKMRAB9ASMN1; SMN2TP53
SCHEMBL15074514 0.85 SSTR4 (0.39) NPC1PKMRAB9ASMN1; SMN2TP53
SCHEMBL26728113 0.85 SSTR4 (0.40) SMN1; SMN2SSTR4P2RX3F2SYK
SCHEMBL860084 0.84 SMN1; SMN2 (0.36) NPC1PKMRAB9ASMN1; SMN2TP53
SCHEMBL828343 0.83 POLB (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL15070165 0.83 AAK1 (0.37) SSTR4P2RX3F2SYKALDH1A1
SCHEMBL3335527 0.82 NPC1 (0.49) NPC1PKMRAB9ASMN1; SMN2TP53
SCHEMBL15286418 0.82 CKS1B (0.38) NPC1PKMRAB9ASMN1; SMN2TP53
SCHEMBL22703137 0.82 TSHR (0.39) NPC1PKMRAB9ASMN1; SMN2TP53
SCHEMBL22703342 0.82 P2RX3 (0.38) NPC1PKMRAB9ASMN1; SMN2TP53

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US disclosed
US-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US disclosed
US-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US disclosed
US-9617221-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2017-04-11 US disclosed
US-9617221-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2017-04-11 US disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-02-21 US disclosed
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-02-21 US disclosed
US-8143294-B2 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors BURNET MICHAEL (DE) 2012-03-27 US disclosed
US-8143294-B2 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors BURNET MICHAEL (DE) 2012-03-27 US disclosed
US-8143294-B2 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors BURNET MICHAEL (DE) 2012-03-27 US disclosed
WO-2011100769-A2 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2011-08-18 WO disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 US disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 US disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 US 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 (5 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-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 NPC1 4216/4885PKM 730/4885RAB9A 2039/4885
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 NPC1 4216/4885PKM 730/4885RAB9A 2039/4885
US-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B NPC1 304/4885PKM 4101/4885RAB9A 62/4885
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B NPC1 3126/4885PKM 4053/4885RAB9A 2338/4885
US-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 NPC1 819/4885PKM 3871/4885RAB9A 119/4885

“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.