SCHEMBL5725825

SCHEMBL5725825

COC(=O)c1sc(Nc2ccc3nc[nH]c3c2)nc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.52
QPCT Q16769 5/20 0.49
NPC1 O15118 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CCNA2 P20248 4/20 0.47
CDK2 P24941 4/20 0.47
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
CASP3 P42574 1/20 0.46
ATM Q13315 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CLK1 P49759 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
TUBB8B A6NNZ2 1/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBB4B P68371 1/20 0.45

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
SCHEMBL5724969 0.83 CDK5 (0.64) QPCTNPC1KMT2AMEN1CCNA2
SCHEMBL7116334 0.83 CCNA2 (0.52) DHODHCCNA2CDK2CDK5CDK5R1
SCHEMBL5725347 0.83 CCNT1 (0.57) DHODHNPC1KMT2AMEN1CCNA2
SCHEMBL5726341 0.82 DHODH (0.47) DHODHNPC1KMT2AMEN1CCNA2
SCHEMBL5727340 0.81 CCNT1 (0.55) NPC1KMT2AMEN1CCNA2CDK2
SCHEMBL5725586 0.81 CCNA2 (0.45) NPC1KMT2AMEN1CCNA2CDK2
SCHEMBL5725526 0.81 CCNT1 (0.55) CCNA2CDK2CLK4CDK5CDK5R1
SCHEMBL5726090 0.80 SYK (0.46) NPC1KMT2AMEN1CCNA2CDK2
SCHEMBL5725845 0.80 CCNA2 (0.44) DHODHNPC1KMT2AMEN1CCNA2
SCHEMBL7116746 0.80 CCNA2 (0.43) DHODHNPC1KMT2AMEN1CCNA2

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 DHODH 895/4885QPCT 1399/4885NPC1 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.