SCHEMBL2954540

SCHEMBL2954540

CNc1nc(-c2ccncc2)nc(SC)c1C(=O)Nc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.44
LMNA P02545 5/20 0.44
MAPT P10636 5/20 0.44
ABCC1 P33527 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
LATS1 O95835 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
NAMPT P43490 1/20 0.43
PSMD14 O00487 1/20 0.43
POLB P06746 3/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL2950504 0.90 MEN1 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL2950038 0.88 KMT2A (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL2953519 0.88 CYP3A4 (0.47) KMT2AMEN1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2956040 0.88 KMT2A (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL2956022 0.87 MEN1 (0.46) KMT2AMEN1ALDH1A1CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL2947061 0.87 KMT2A (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL2947406 0.87 MAPT (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
Oxalic Acid SCHEMBL2954733 0.86 IRAK4 (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
Phosphoric Acid SCHEMBL2954734 0.86 IRAK4 (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL2946036 0.85 RAB9A (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA

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 KMT2A 4280/4885MEN1 1887/4885ALDH1A1 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.