SCHEMBL5458465

SCHEMBL5458465

COc1cccc(-c2csc(-c3cc4ccccc4[nH]c3=O)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 7/20 0.64
CDK5R1 Q15078 7/20 0.64
CYP19A1 P11511 1/20 0.56
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
PIK3CD O00329 1/20 0.50
PIK3CB P42338 1/20 0.50
PLG P00747 1/20 0.49
PLAT P00750 1/20 0.49
PRSS1 P07477 1/20 0.49
C1S P09871 1/20 0.49
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP1B1 Q16678 1/20 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
SCHEMBL5465099 0.83 CDK5 (0.76) CDK5CDK5R1CYP19A1ALDH1A1MEN1
SCHEMBL5462138 0.80 CDK5 (0.71) CDK5CDK5R1ALDH1A1MEN1KMT2A
SCHEMBL5458364 0.80 CDK5 (0.83) CDK5CDK5R1KMT2A
SCHEMBL5461099 0.79 MAPT (0.64) CDK5CDK5R1ALDH1A1MEN1KMT2A
SCHEMBL31060607 0.78 CDK5 (1.00) CDK5CDK5R1MEN1KMT2A
SCHEMBL5463666 0.78 CDK5 (1.00) CDK5CDK5R1MEN1KMT2A
SCHEMBL5460759 0.78 CDK5 (0.69) CDK5CDK5R1ALDH1A1MEN1KMT2A
SCHEMBL1180783 0.78 CYP19A1 (0.76) CYP19A1ALDH1A1MEN1KMT2ANPC1
SCHEMBL8346645 0.77 ALDH1A1 (0.69) CYP19A1ALDH1A1MEN1KMT2ANPC1
SCHEMBL5461092 0.77 CDK5 (0.69) CDK5CDK5R1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032518-A1 Compounds and methods of use AMGEN INC. (US) 2007-02-08 US disclosed
US-20070032518-A1 Compounds and methods of use AMGEN INC. (US) 2007-02-08 US disclosed
US-20070032518-A1 Compounds and methods of use AMGEN INC. (US) 2007-02-08 US disclosed
EP-1478645-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS Amgen Inc. (US) 2004-11-24 EP disclosed
US-6822097-B1 THIAZOLE-SUBSTITUTED QUINOLINE DERIVATIVES; ANTICARCINOGENIC AGENTS, ANTISTROKE AGENTS; APOPTOSIS AND CELL PROLIFERATION TREATMENT; NERVOUS SYSTEM DISORDERS AMGEN, INC. 2004-11-23 US disclosed
WO-2003066630-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS AMGEN INC. (US) 2003-08-14 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 (1 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-20070032518-A1 Compounds and methods of use BAX, BAD, CASP3 CDK5 27/4885CDK5R1 147/4885CYP19A1 368/4885

“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.