SCHEMBL3028158

SCHEMBL3028158

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 5/20 0.44
KDR P35968 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.38
PDE4B Q07343 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2953519 0.88 CYP3A4 (0.47) NPC1RAB9ATP53SMN1; SMN2POLB
SCHEMBL2950038 0.88 KMT2A (0.46) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL3025810 0.88 NPC1 (0.54) NPC1RAB9ATP53SMN1; SMN2POLB
SCHEMBL2946036 0.85 RAB9A (0.46) FLT1KDRNPC1RAB9ATP53
SCHEMBL2954540 0.85 KMT2A (0.50) NPC1RAB9ATP53SMN1; SMN2POLB
SCHEMBL2944090 0.83 CCNC (0.46) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL2954483 0.81 LMNA (0.49) RAB9ATP53POLBKMT2ALMNA
SCHEMBL2948823 0.78 CYP1A2 (0.47) NPC1RAB9ATP53SMN1; SMN2POLB
SCHEMBL2953434 0.78 MEN1 (0.46) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL2948758 0.77 POLB (0.48) NPC1RAB9ATP53SMN1; SMN2POLB

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 FLT1 1326/4885KDR 1198/4885NPC1 4092/4885

“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.