SCHEMBL2950530

SCHEMBL2950530

CSc1ccc(-c2nc(SC)c(C(=O)Nc3ccc(C)c(C)c3)c(N3CCNCC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ADORA3 P0DMS8 2/20 0.38
BRAF P15056 2/20 0.37
RAF1 P04049 1/20 0.37
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK9 P50750 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
AURKB Q96GD4 1/20 0.37
MTOR P42345 6/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL2943524 0.90 USP2 (0.54) TP53HPGDUSP2TSHRRAB9A
SCHEMBL2951883 0.81 ADORA3 (0.45) TP53TSHRRAB9AKDM4EADORA3
SCHEMBL2945514 0.81 RAB9A (0.46) RAB9AKDM4EADORA3NPC1SMN1; SMN2
SCHEMBL2945524 0.79 KMT2A (0.43) TSHRRAB9AKDM4EADORA3NPC1
SCHEMBL2950536 0.78 RAB9A (0.44) TSHRRAB9AKDM4EADORA3NPC1
SCHEMBL2948828 0.75 RAB9A (0.42) TP53USP2RAB9AKDM4EADORA3
SCHEMBL2952951 0.73 RAB9A (0.46) HPGDUSP2TSHRRAB9AKDM4E
SCHEMBL2950844 0.70 CYP1A2 (0.48) TP53USP2TSHRRAB9AKDM4E
SCHEMBL2944090 0.69 CCNC (0.46) TSHRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2943426 0.69 CYP1A2 (0.49) TP53USP2TSHRRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759350-B2 Pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-20 US claimed
EP-1931642-A2 NOVEL PYRIMIDINE CARBOXAMIDES Orchid Research Laboratories Limited (IN) 2008-06-18 EP claimed
US-20070072876-A1 Novel pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2007-03-29 US claimed
WO-2007031829-A2 NOVEL PYRIMIDINE CARBOXAMIDES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-22 WO claimed
US-7759350-B2 Pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-20 US disclosed
US-7759350-B2 Pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-20 US disclosed
US-7759350-B2 Pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-20 US disclosed
EP-1931642-A2 NOVEL PYRIMIDINE CARBOXAMIDES Orchid Research Laboratories Limited (IN) 2008-06-18 EP disclosed
US-20070072876-A1 Novel pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2007-03-29 US disclosed
US-20070072876-A1 Novel pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2007-03-29 US disclosed
US-20070072876-A1 Novel pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2007-03-29 US disclosed
WO-2007031829-A2 NOVEL PYRIMIDINE CARBOXAMIDES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-22 WO disclosed
WO-2007031829-A2 NOVEL PYRIMIDINE CARBOXAMIDES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-22 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-20070072876-A1 Novel pyrimidine carboxamides UACA, SI, MYLK2 TP53 842/4885HPGD 3323/4885USP2 2385/4885

“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.