SCHEMBL2945524

SCHEMBL2945524

CNc1nc(-c2ccc(SC)cc2)nc(SC)c1C(=O)Nc1ccc(C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
ADORA3 P0DMS8 2/20 0.43
RAB9A P51151 8/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
FKBP5 Q13451 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE4B Q07343 1/20 0.38
MLLT1 Q03111 1/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL2950536 0.91 RAB9A (0.44) KMT2AMEN1POLBLMNAADORA3
SCHEMBL2954483 0.90 LMNA (0.49) KMT2AMEN1POLBLMNAADORA3
SCHEMBL2944090 0.90 CCNC (0.46) KMT2AMEN1POLBLMNARAB9A
SCHEMBL2948823 0.88 CYP1A2 (0.47) KMT2AMEN1POLBLMNAADORA3
SCHEMBL2945514 0.87 RAB9A (0.46) KMT2AMEN1POLBLMNAADORA3
SCHEMBL2951883 0.87 ADORA3 (0.45) KMT2AMEN1POLBLMNAADORA3
SCHEMBL2948692 0.87 CA2 (0.41) KMT2AMEN1POLBLMNARAB9A
SCHEMBL2948828 0.87 RAB9A (0.42) KMT2AMEN1POLBLMNAADORA3
SCHEMBL2944730 0.87 KMT2A (0.43) KMT2AMEN1POLBLMNAADORA3
SCHEMBL2953434 0.86 MEN1 (0.46) KMT2AMEN1POLBLMNAADORA3

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 12 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

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 KMT2A 4280/4885MEN1 1887/4885POLB 972/4885

“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.