SCHEMBL2951883

SCHEMBL2951883

CSc1ccc(-c2nc(O)c(C(=O)Nc3ccc(C)c(C)c3)c(SC)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.45
RAB9A P51151 10/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 5/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
FKBP5 Q13451 1/20 0.39
TSHR P16473 1/20 0.39
XDH P47989 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL2945514 0.89 RAB9A (0.46) ADORA3RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL2943426 0.88 CYP1A2 (0.49) ADORA3RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL2945524 0.87 KMT2A (0.43) ADORA3RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL2950536 0.86 RAB9A (0.44) ADORA3RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL2952835 0.84 MEN1 (0.44) ADORA3RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL14570801 0.84 TSHR (0.54) ADORA3RAB9AKDM4ENPC1MAPT
SCHEMBL2948828 0.83 RAB9A (0.42) ADORA3RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL2943524 0.81 USP2 (0.54) ADORA3RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL2952951 0.81 RAB9A (0.46) ADORA3RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL2950530 0.81 TP53 (0.43) ADORA3RAB9AKDM4ENPC1SMN1; SMN2

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
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 ADORA3 514/4885RAB9A 1458/4885KDM4E 4421/4885

“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.