SCHEMBL2962657

SCHEMBL2962657

CC#CCn1c(Cl)nc2cnn(C)c(=O)c21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.37
CHRM1 P11229 4/20 0.37
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
KAT2B Q92831 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
FAP Q12884 1/20 0.33
ADORA2B P29275 1/20 0.33

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
SCHEMBL13217347 0.81 LMNA (0.43) DPP4AGTR1AGTR2KAT2BBRD9
SCHEMBL2964726 0.78 KAT2B (0.34) DPP4KAT2BBRD9ADORA2B
SCHEMBL2956536 0.78 DPP4 (0.37) DPP4CHRM1AGTR1AGTR2
SCHEMBL2967103 0.77 DPP4 (0.61) DPP4CHRM1FAP
SCHEMBL13200979 0.75 DPP4 (0.45) DPP4CHRM1FAP
SCHEMBL6411044 0.74 DPP4 (0.49) DPP4CHRM1FAP
SCHEMBL13201048 0.73 DPP4 (0.40) DPP4CHRM1FAP
SCHEMBL4065711 0.71 DPP4 (0.41) DPP4CHRM1KAT2B
SCHEMBL2954861 0.71 DPP4 (0.68) DPP4CHRM1
SCHEMBL13201031 0.71 DPP4 (0.41) DPP4CHRM1KAT2B

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-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 US 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 (5 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-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 DPP4 2329/4885CHRM1 7/4885AGTR1 735/4885
US-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 DPP4 4422/4885CHRM1 19/4885AGTR1 470/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 DPP4 1/4885CHRM1 4756/4885AGTR1 408/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 DPP4 1/4885CHRM1 43/4885AGTR1 185/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 DPP4 1/4885CHRM1 43/4885AGTR1 185/4885

“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.