SCHEMBL2945514

SCHEMBL2945514

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
KDM4E B2RXH2 2/20 0.46
ADORA3 P0DMS8 2/20 0.45
POLB P06746 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 5/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.42
PTGS2 P35354 1/20 0.41
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL2951883 0.89 ADORA3 (0.45) RAB9AKDM4EADORA3POLBSMN1; SMN2
SCHEMBL2950844 0.89 CYP1A2 (0.48) RAB9AKDM4EADORA3POLBSMN1; SMN2
SCHEMBL2945524 0.87 KMT2A (0.43) RAB9AKDM4EADORA3POLBSMN1; SMN2
SCHEMBL2950536 0.86 RAB9A (0.44) RAB9AKDM4EADORA3POLBSMN1; SMN2
SCHEMBL2948828 0.83 RAB9A (0.42) RAB9AKDM4EADORA3POLBSMN1; SMN2
SCHEMBL2943524 0.81 USP2 (0.54) RAB9AKDM4EADORA3POLBSMN1; SMN2
SCHEMBL2952951 0.81 RAB9A (0.46) RAB9AKDM4EADORA3POLBSMN1; SMN2
SCHEMBL2950530 0.81 TP53 (0.43) RAB9AKDM4EADORA3SMN1; SMN2NPC1
SCHEMBL2944090 0.77 CCNC (0.46) RAB9APOLBSMN1; SMN2NPC1MAPT
SCHEMBL2943426 0.76 CYP1A2 (0.49) RAB9AKDM4EADORA3POLBSMN1; SMN2

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 RAB9A 1458/4885KDM4E 4421/4885ADORA3 514/4885

“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.