SCHEMBL4004025

SCHEMBL4004025

CC(Cc1cccc(CN)c1)Nc1nccc(N(C)c2cc(-c3ccccc3)c3c(c2)ncn3C)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ KDR P35968 14/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ CYP2C9 P11712 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ CFD P00746 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ KIT P10721 3/20 0.32
▸ PDGFRA P16234 3/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ EPHB4 P54760 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ IGF1R P08069 1/20 0.32

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
SCHEMBL3926763 0.88 DPP4 (0.36) DPP4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL5914049 0.84 CFD (0.38) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5914043 0.84 CFD (0.38) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3927419 0.81 KDR (0.33) DPP4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL3922932 0.80 KDR (0.39) KDRMAPK14FGFR1EPHB4
SCHEMBL5914420 0.80 KDR (0.36) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5914084 0.80 KDR (0.37) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5914097 0.80 KDR (0.37) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5914022 0.80 KDR (0.37) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5913862 0.79 CFD (0.39) KDRCYP3A4CYP2D6CYP2C9CYP2C19

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041118-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2009-04-01 — — EP claimed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 — — WO claimed
US-20060247263-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-11-02 — — US claimed
EP-2041118-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2009-04-01 — — EP disclosed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 — — WO disclosed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 — — WO disclosed
US-20060247263-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-11-02 — — 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 (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-20060247263-A1 Substituted heterocyclic compounds and methods of use MAPT, IAPP, MYLK2 DPP4 1381/4885DPP8 2293/4885KDR 299/4885

“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.

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