SCHEMBL21611716

SCHEMBL21611716

Cc1ccccc1C(=O)Nc1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 8/20 0.73
▸ BRAF P15056 8/20 0.69
▸ EGFR P00533 7/20 0.63
▸ ABL1 P00519 1/20 0.60
▸ RET P07949 2/20 0.59
▸ CSF1R P07333 1/20 0.58

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
SCHEMBL28054361 0.92 KIT (0.62) KITBRAFRET
SCHEMBL27997206 0.89 KIT (0.58) KITBRAFEGFRABL1CSF1R
SCHEMBL5900523 0.89 KIT (0.69) KITBRAFEGFRABL1RET
SCHEMBL29562470 0.86 BRAF (0.82) KITBRAFEGFRABL1RET
SCHEMBL6184307 0.86 BRAF (0.82) KITBRAFEGFRABL1RET
SCHEMBL5900538 0.85 KIT (0.65) KITBRAFEGFRABL1RET
SCHEMBL30904911 0.85 KIT (0.71) KITBRAFEGFRABL1
SCHEMBL20912769 0.85 KIT (0.71) KITBRAFEGFRABL1
SCHEMBL12871531 0.84 KIT (0.84) KITBRAFEGFRABL1
SCHEMBL4254621 0.84 KIT (0.77) KITBRAFEGFRABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225474-B2 Crystalline salt forms of 3-(1,2,4-triazolo[4,3-a]pyridine-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-trifluoromethylphenyl)benzamide for medical application LIMITED LIABILITY COMPANY «FUSION PHARMA» 2022-01-18 — — US disclosed
US-20200325131-A1 NOVEL CRYSTALLINE SALT FORMS OF 3-(1,2,4-TRIAZOLO[4,3-A]PYRIDINE-3-YLETHYNYL)-4-METHYL-N-(4-((4-METHYLPIPERAZIN-1-YL)METHYL)-3-TRIFLUOROMETHYLPHENYL)BENZAMIDE FOR MEDICAL APPLICATION LIMITED LIABILITY COMPANY <<FUSION PHARMA>> (RU) 2020-10-15 — — US disclosed
WO-2020007234-A1 ALKYNYL(HETERO)AROMATIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY 深圳市塔吉瑞生物医药有限公司 2020-01-09 — — WO disclosed
CN-105837575-B 3- acetenyl Pyrazolopyrimidine derivative and its preparation method and application 四川大学 2019-01-15 — — CN 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-11225474-B2 Crystalline salt forms of 3-(1,2,4-triazolo[4,3-a]pyridine-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-trifluoromethylphenyl)benzamide for medical application ABL2, ALK, ABL1 KIT 88/4885BRAF 113/4885EGFR 524/4885
US-20200325131-A1 NOVEL CRYSTALLINE SALT FORMS OF 3-(1,2,4-TRIAZOLO[4,3-A]PYRIDINE-3-YLETHYNYL)-4-METHYL-N-(4-((4-METHYLPIPERAZIN-1-YL)METHYL)-3-TRIFLUOROMETHYLPHENYL)BENZAMIDE FOR MEDICAL APPLICATION ABL2, SRC, ABL1 KIT 121/4885BRAF 98/4885EGFR 537/4885

“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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