SCHEMBL2944730

SCHEMBL2944730

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BRAF P15056 1/20 0.39
MAOB P27338 3/20 0.39
MAOA P21397 1/20 0.39
PDE4B Q07343 1/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 2/20 0.36
BUB1 O43683 1/20 0.36

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
SCHEMBL2953434 0.89 MEN1 (0.46) KMT2AMEN1LMNAPOLBNPC1
SCHEMBL2954483 0.89 LMNA (0.49) KMT2AMEN1LMNAPOLBRAB9A
SCHEMBL4779127 0.88 KMT2A (0.40) KMT2AMEN1LMNAPOLBNPC1
SCHEMBL2951648 0.88 KMT2A (0.39) KMT2AMEN1LMNAPOLBNPC1
SCHEMBL2945524 0.87 KMT2A (0.43) KMT2AMEN1LMNAPOLBNPC1
SCHEMBL2948823 0.85 CYP1A2 (0.47) KMT2AMEN1LMNAPOLBNPC1
SCHEMBL2950504 0.82 MEN1 (0.50) KMT2AMEN1LMNAPOLBNPC1
SCHEMBL2953069 0.82 PDE4B (0.44) KMT2AMEN1LMNAPOLBNPC1
SCHEMBL2953911 0.80 GAA (0.48) KMT2AMEN1LMNAPOLBNPC1
SCHEMBL13236915 0.79 TP53 (0.47) KMT2AMEN1LMNAPOLBNPC1

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 11 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
US-20070072876-A1 Novel pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2007-03-29 US 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 1887/4885LMNA 2256/4885

“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.