SCHEMBL2631424

SCHEMBL2631424

CCn1cc(-c2ccc(C)cc2)nc1C(C)(C)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.46
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MITF O75030 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PAX8 Q06710 2/20 0.41
KDM5A P29375 1/20 0.41
KDM5C P41229 1/20 0.41
GAA P10253 3/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A3 P47895 2/20 0.37

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
SCHEMBL28308341 0.77 TLR8 (0.53) TLR8NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2617445 0.76 SPNS2 (0.35) TLR8NPC1SPNS2
SCHEMBL2617361 0.76 SPNS2 (0.35) TLR8NPC1SPNS2
SCHEMBL13711191 0.72 TLR8 (0.33) TLR8
SCHEMBL2617376 0.72 NPC1 (0.38) TLR8NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1691689 0.71 TLR8 (0.41) TLR8ALDH1A1HPGDCASP1CASP7
SCHEMBL13931997 0.70 GABRA2 (0.47) TLR8NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13183914 0.69 NPC1 (0.47) TLR8NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10274279 0.69 NPC1 (0.47) TLR8NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2617375 0.66 DUT (0.36) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 US disclosed
US-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC 2009-12-10 US disclosed
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 US disclosed
US-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 US disclosed
US-7504413-B2 N-(4-(imidazo[1,2A]pyridin-YL)phenethyl)benzamide inhibitors of the mitotic kinesin CENP-E for treating certain cellular proliferation diseases CYTOKINETICS, INC. (US) 2009-03-17 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 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 (4 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-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 TLR8 4810/4885NPC1 619/4885RAB9A 1283/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 TLR8 4818/4885NPC1 835/4885RAB9A 1213/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 TLR8 4818/4885NPC1 835/4885RAB9A 1213/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 TLR8 4818/4885NPC1 835/4885RAB9A 1213/4885

“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.