SCHEMBL2950504

SCHEMBL2950504

CNc1nc(-c2ccc(SC)cc2)nc(SC)c1C(=O)Nc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 6/20 0.46
PLAU P00749 1/20 0.44
LMNA P02545 3/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
XDH P47989 1/20 0.43
GPR35 Q9HC97 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
SYK P43405 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2954483 0.92 LMNA (0.49) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2954540 0.90 KMT2A (0.50) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2947406 0.89 MAPT (0.48) MEN1KMT2AALDH1A1MAPTPLAU
SCHEMBL2953911 0.89 GAA (0.48) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2948823 0.88 CYP1A2 (0.47) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2953434 0.88 MEN1 (0.46) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL2953461 0.87 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTPLAU
SCHEMBL2945075 0.87 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTPLAU
SCHEMBL2953069 0.85 PDE4B (0.44) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2956040 0.84 KMT2A (0.52) MEN1KMT2AALDH1A1MAPTLMNA

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 MEN1 1887/4885KMT2A 4280/4885ALDH1A1 2894/4885

“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.