SCHEMBL21730635

SCHEMBL21730635

CC(=O)Nc1cnc(N)c(C#Cc2cccc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 2/20 0.68
▸ KDR P35968 2/20 0.68
▸ ABL1 P00519 8/20 0.68
▸ KIT P10721 6/20 0.67
▸ SRC P12931 2/20 0.64
▸ RET P07949 3/20 0.64
▸ KIF5B P33176 1/20 0.64
▸ CCDC6 Q16204 1/20 0.64
▸ BCR P11274 1/20 0.61

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
SCHEMBL21730636 0.92 FGFR1 (0.65) FGFR1KDRABL1KITSRC
SCHEMBL21730532 0.88 ABL1 (0.70) FGFR1KDRABL1KITSRC
SCHEMBL21730704 0.85 ABL1 (0.71) FGFR1KDRABL1KITSRC
SCHEMBL29675167 0.85 ABL1 (0.71) FGFR1KDRABL1KITSRC
SCHEMBL24626461 0.85 ABL1 (0.71) FGFR1KDRABL1KITSRC
SCHEMBL21730705 0.84 ABL1 (0.69) FGFR1KDRABL1KITSRC
SCHEMBL29515245 0.81 ABL1 (1.00) FGFR1KDRABL1SRCRET
SCHEMBL14953311 0.81 ABL1 (1.00) FGFR1KDRABL1SRCRET
SCHEMBL21730628 0.81 RET (0.66) FGFR1KDRABL1KITSRC
SCHEMBL24626754 0.80 KIT (0.91) FGFR1KDRABL1KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988456-B2 O-aminoheteroaryl alkynyl-containing compound, preparation method therefor, and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2021-04-27 — — US disclosed
US-20200055838-A1 O-AMINOHETEROARYL ALKYNYL-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-02-20 — — 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-20200055838-A1 O-AMINOHETEROARYL ALKYNYL-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF FGFR3, FGFR1, FGFR2 FGFR1 2/4885KDR 6/4885ABL1 122/4885
US-10988456-B2 O-aminoheteroaryl alkynyl-containing compound, preparation method therefor, and use thereof FGFR3, FGFR1, FGFR2 FGFR1 2/4885KDR 6/4885ABL1 122/4885

“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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