SCHEMBL2956040

SCHEMBL2956040

CNc1nc(-c2cccnc2)nc(SC)c1C(=O)Nc1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
POLB P06746 1/20 0.52
IRAK4 Q9NWZ3 1/20 0.52
ATR Q13535 1/20 0.51
RAB9A P51151 1/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ABCG2 Q9UNQ0 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 2/20 0.47
PSMD14 O00487 1/20 0.46
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTAFR P25105 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
Hydrochloric Acid SCHEMBL2947061 0.99 KMT2A (0.51) KMT2APOLBIRAK4ATRRAB9A
Phosphoric Acid SCHEMBL2954734 0.97 IRAK4 (0.49) KMT2APOLBIRAK4ATRRAB9A
Oxalic Acid SCHEMBL2954733 0.97 IRAK4 (0.49) KMT2APOLBIRAK4ATRRAB9A
SCHEMBL2952870 0.96 IRAK4 (0.48) KMT2APOLBIRAK4ATRRAB9A
SCHEMBL2953230 0.91 KMT2A (0.59) KMT2APOLBIRAK4ATRRAB9A
SCHEMBL2947104 0.88 IRAK4 (0.48) KMT2APOLBIRAK4ATRRAB9A
SCHEMBL2954540 0.88 KMT2A (0.50) KMT2APOLBRAB9AMAPTLMNA
SCHEMBL3025810 0.86 NPC1 (0.54) KMT2APOLBRAB9AMAPTLMNA
SCHEMBL2951651 0.86 NPC1 (0.54) KMT2APOLBRAB9AMAPTLMNA
SCHEMBL2950504 0.84 MEN1 (0.50) KMT2APOLBRAB9AMAPTLMNA

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 4280/4885POLB 972/4885IRAK4 292/4885

“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.