SCHEMBL5481496

SCHEMBL5481496

CC(=O)Nc1nc(CC(=O)Nc2ncc(N(C)CCOC(C)=O)s2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
CCNK O75909 2/20 0.43
DDB1 Q16531 2/20 0.43
CDK12 Q9NYV4 2/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
POLB P06746 2/20 0.39
ESR2 Q92731 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
CASP3 P42574 1/20 0.39
HTT P42858 1/20 0.39
SENP8 Q96LD8 1/20 0.39

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
SCHEMBL5477768 0.94 CCNK (0.42) KMT2ACCNKDDB1CDK12MEN1
SCHEMBL6366716 0.88 CCNK (0.46) KMT2ACCNKDDB1CDK12MEN1
SCHEMBL6365990 0.86 CCNK (0.45) KMT2ACCNKDDB1CDK12MEN1
SCHEMBL5482486 0.80 CCNK (0.44) KMT2ACCNKDDB1CDK12MEN1
SCHEMBL5480446 0.79 CCNK (0.43) KMT2ACCNKDDB1CDK12MEN1
SCHEMBL5484299 0.77 CCNE1 (0.56) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL24101425 0.77 CCNK (0.66) KMT2ACCNKDDB1CDK12MEN1
SCHEMBL5490457 0.76 SMN1; SMN2 (0.52) KMT2ACCNKDDB1CDK12MEN1
SCHEMBL5484301 0.74 CDK2 (0.57) KMT2ACCNKDDB1CDK12MEN1
SCHEMBL5484375 0.73 CCNE1 (0.51) KMT2ACCNKDDB1CDK12MEN1

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-1204649-B1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-10-17 EP disclosed
US-20050004120-A1 Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents PHARMACIA ITALIS S.P.A. (IT) 2005-01-06 US disclosed
US-6784198-B1 2-(ARYLMETHYL-CARBONYLAMINO)-1,3-THIAZOLE DERIVATIVES; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA ITALIA S.P.A. (IT) 2004-08-31 US disclosed
EP-1204649-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-15 EP disclosed
WO-2001014353-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA, S.P.A. (IT) 2001-03-01 WO disclosed
US-6114365-A Arylmethyl-carbonylamino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2000-09-05 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 (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-20050004120-A1 Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents CCAR2, BCL2, ROS1 KMT2A 1612/4885CCNK 214/4885DDB1 784/4885

“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.