SCHEMBL5726698

SCHEMBL5726698

COc1ccc(Nc2nc(N)c(C(=O)c3ccccc3C#N)s2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
NPC1 O15118 2/20 0.65
CDK5 Q00535 8/20 0.65
CDK5R1 Q15078 8/20 0.65
MAPT P10636 2/20 0.65
LMNA P02545 1/20 0.65
TP53 P04637 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
CCNA2 P20248 5/20 0.59
CDK2 P24941 5/20 0.59
TUBB8B A6NNZ2 1/20 0.59
TUBB4A P04350 1/20 0.59
TUBB P07437 1/20 0.59
TUBB4B P68371 1/20 0.59
TUBB3 Q13509 1/20 0.59
TUBB2A Q13885 1/20 0.59
TUBB8 Q3ZCM7 1/20 0.59
TUBB6 Q9BUF5 1/20 0.59
TUBB2B Q9BVA1 1/20 0.59

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
SCHEMBL5892502 0.82 CDK4 (0.75) CDK5GSK3AGSK3B
SCHEMBL5727006 0.81 CDK2 (0.53) NPC1CDK5CDK5R1MAPTLMNA
SCHEMBL163591 0.81 CDK5 (0.91) MEN1KMT2ANPC1CDK5CDK5R1
SCHEMBL20142382 0.81 MEN1 (0.83) MEN1KMT2ANPC1CDK5CDK5R1
SCHEMBL4397229 0.80 MEN1 (1.00) MEN1KMT2ANPC1CDK5CDK5R1
SCHEMBL20142286 0.80 ZAP70 (0.72) MEN1KMT2ANPC1CDK5CDK5R1
SCHEMBL7518695 0.80 CDK4 (0.66) CDK5CDK5R1MAPTTP53RXFP1
SCHEMBL1250849 0.79 CDK5 (1.00) MEN1KMT2ANPC1CDK5CDK5R1
SCHEMBL4478062 0.78 CCNA2 (0.87) MEN1KMT2ANPC1CDK5CDK5R1
SCHEMBL1251102 0.78 CDK5 (0.85) MEN1KMT2ANPC1CDK5CDK5R1

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
EP-1056732-B1 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMA (US) 2006-01-11 EP disclosed
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CHONG WESLEY K M (US) 2003-11-27 US disclosed
US-6569878-B1 Such as 4-amino-2-phenylamino-thiazol-5-yl)-(3-nitrophenyl)-methanone for treating cancer AGOURON PHARMACEUTICALS INC. 2003-05-27 US disclosed
EP-1215208-A2 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases Agouron Pharmaceuticals, Inc. (US) 2002-06-19 EP disclosed
EP-1056732-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-06 EP disclosed
WO-1999021845-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 1999-05-06 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-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CDK2, CDK4, CDK1 MEN1 1999/4885KMT2A 308/4885NPC1 4186/4885

“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.