SCHEMBL21730706

SCHEMBL21730706

CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(C#Cc4nccnc4N)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 8/20 0.73
▸ RET P07949 2/20 0.72
▸ ABL1 P00519 5/20 0.69
▸ FGFR1 P11362 3/20 0.68
▸ KDR P35968 3/20 0.68
▸ KIT P10721 7/20 0.65
▸ PDGFRA P16234 2/20 0.64
▸ PDGFRB P09619 1/20 0.64
▸ FLT1 P17948 1/20 0.64
▸ FGFR2 P21802 1/20 0.64
▸ FGFR4 P22455 1/20 0.64
▸ FGFR3 P22607 1/20 0.64
▸ FLT3 P36888 1/20 0.62
▸ IKBKB O14920 1/20 0.62
▸ CHUK O15111 1/20 0.62
▸ MAP3K7 O43318 1/20 0.62
▸ JAK2 O60674 1/20 0.62
▸ EGFR P00533 1/20 0.62
▸ RAF1 P04049 1/20 0.62
▸ NTRK1 P04629 1/20 0.62

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
SCHEMBL21730528 0.91 RET (0.76) SRCRETABL1FGFR1KDR
SCHEMBL21730708 0.89 RET (0.69) SRCRETABL1FGFR1KDR
SCHEMBL21730609 0.88 RET (0.72) SRCRETABL1FGFR1KDR
SCHEMBL21730615 0.87 RET (0.71) SRCRETABL1FGFR1KDR
SCHEMBL21730607 0.87 RET (0.71) SRCRETABL1FGFR1KDR
SCHEMBL21730605 0.87 KIT (0.71) SRCRETABL1FGFR1KDR
SCHEMBL21730701 0.86 RET (0.69) SRCRETABL1FGFR1KDR
SCHEMBL21730542 0.86 KIT (0.85) SRCRETABL1FGFR1KDR
SCHEMBL21730541 0.86 RET (0.77) SRCRETABL1FGFR1KDR
SCHEMBL21730538 0.86 RET (0.77) SRCRETABL1FGFR1KDR

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 SRC 150/4885RET 9/4885ABL1 122/4885
US-10988456-B2 O-aminoheteroaryl alkynyl-containing compound, preparation method therefor, and use thereof FGFR3, FGFR1, FGFR2 SRC 150/4885RET 9/4885ABL1 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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