SCHEMBL21730609

SCHEMBL21730609

CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(C#Cc4cc(Cl)cnc4N)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 2/20 0.72
▸ ABL1 P00519 10/20 0.71
▸ FGFR1 P11362 2/20 0.70
▸ KDR P35968 2/20 0.70
▸ KIT P10721 5/20 0.70
▸ SRC P12931 4/20 0.69
▸ FLT3 P36888 1/20 0.68
▸ PDGFRB P09619 1/20 0.66
▸ PDGFRA P16234 1/20 0.66
▸ FLT1 P17948 1/20 0.66
▸ FGFR2 P21802 1/20 0.66
▸ FGFR4 P22455 1/20 0.66
▸ FGFR3 P22607 1/20 0.66

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
SCHEMBL21730605 0.93 KIT (0.71) RETABL1FGFR1KDRKIT
SCHEMBL21730607 0.93 RET (0.71) RETABL1FGFR1KDRKIT
SCHEMBL21730615 0.93 RET (0.71) RETABL1FGFR1KDRKIT
SCHEMBL21730701 0.92 RET (0.69) RETABL1FGFR1KDRKIT
SCHEMBL21730634 0.91 RET (0.68) RETABL1FGFR1KDRKIT
SCHEMBL21730614 0.91 RET (0.68) RETABL1FGFR1KDRKIT
SCHEMBL21730612 0.91 ABL1 (0.72) RETABL1FGFR1KDRKIT
SCHEMBL21730625 0.91 RET (0.68) RETABL1FGFR1KDRKIT
SCHEMBL21730610 0.91 RET (0.68) RETABL1FGFR1KDRKIT
SCHEMBL21730616 0.91 RET (0.68) RETABL1FGFR1KDRKIT

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 RET 9/4885ABL1 122/4885FGFR1 2/4885
US-10988456-B2 O-aminoheteroaryl alkynyl-containing compound, preparation method therefor, and use thereof FGFR3, FGFR1, FGFR2 RET 9/4885ABL1 122/4885FGFR1 2/4885

“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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