SCHEMBL15728492

SCHEMBL15728492

COc1cc(OC)c(F)c(COc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2)c1F

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 9/20 0.72
▸ FGFR3 P22607 17/20 0.71
▸ CDK1 P06493 2/20 0.57
▸ CDK4 P11802 2/20 0.57
▸ CCNB1 P14635 2/20 0.57
▸ CCND1 P24385 2/20 0.57
▸ CCNE1 P24864 2/20 0.57
▸ CDK2 P24941 2/20 0.57
▸ FGFR1 P11362 2/20 0.52
▸ FGFR2 P21802 2/20 0.52
▸ FGFR4 P22455 2/20 0.52
▸ KDR P35968 1/20 0.48

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
SCHEMBL15725958 0.95 KCNH2 (0.68) KCNH2FGFR3CDK1CDK4CCNB1
SCHEMBL15244483 0.94 KCNH2 (0.64) KCNH2FGFR3CDK1CDK4CCNB1
SCHEMBL15728248 0.94 FGFR3 (0.81) KCNH2FGFR3CDK1CDK4CCNB1
SCHEMBL15728579 0.92 KCNH2 (0.84) KCNH2FGFR3CDK1CDK4CCNB1
SCHEMBL15728581 0.92 FGFR3 (0.69) KCNH2FGFR3CDK1CDK4CCNB1
SCHEMBL15728668 0.91 KCNH2 (0.60) KCNH2FGFR3CDK1CDK4CCNB1
SCHEMBL15244595 0.90 FGFR3 (0.88) KCNH2FGFR3FGFR1FGFR2FGFR4
SCHEMBL15244200 0.89 KCNH2 (0.72) KCNH2FGFR3FGFR1FGFR2FGFR4
SCHEMBL15728438 0.89 FGFR3 (0.71) KCNH2FGFR3CDK1CDK4CCNB1
SCHEMBL18132734 0.88 FGFR3 (0.73) KCNH2FGFR3FGFR1FGFR2FGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152232-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2017-06-01 — — US disclosed
US-9464077-B2 Nitrogen-containing aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-10-11 — — US disclosed
US-20140142084-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2014-05-22 — — 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 (2 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-20140142084-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND FGFR3, FGFR1, FGFR2 KCNH2 3097/4885FGFR3 1/4885CDK1 150/4885
US-20170152232-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND FGFR3, FGFR1, FGFR2 KCNH2 2907/4885FGFR3 1/4885CDK1 165/4885

“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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