SCHEMBL23111995

SCHEMBL23111995

Cc1ccc(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)cc1I

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 3/20 0.67
▸ BRAF P15056 10/20 0.51
▸ RAF1 P04049 1/20 0.51
▸ EGFR P00533 7/20 0.50
▸ HTT P42858 4/20 0.49
▸ MAPK1 P28482 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CLK1 P49759 1/20 0.46

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
SCHEMBL18298084 0.90 KIT (0.71) KITBRAFEGFRHTTMAPK1
SCHEMBL4903601 0.87 HTT (0.56) KITBRAFRAF1EGFRHTT
SCHEMBL21611712 0.86 KIT (0.65) KITBRAFHTTMEN1NPC1
SCHEMBL29561783 0.86 KIT (0.65) KITBRAFHTTMEN1NPC1
SCHEMBL4909357 0.86 MAPT (0.58) KITBRAFRAF1EGFRHTT
SCHEMBL26429001 0.85 NPC1 (0.65) KITBRAFRAF1HTTMEN1
SCHEMBL18298086 0.84 KIT (0.64) KITBRAFEGFRHTTMEN1
SCHEMBL16236899 0.83 KIT (0.86) KITBRAFEGFRHTTMAPK1
SCHEMBL5498213 0.82 KIT (0.61) KITBRAFHTTMEN1NPC1
SCHEMBL27757213 0.82 KIT (0.56) KITBRAFRAF1EGFRHTT

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
EP-3795571-B1 ALKYNYL(HETERO)AROMATIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY SHENZHEN TARGETRX INC (CN) 2024-05-08 — — EP disclosed
US-11840535-B2 Alkynyl(hetero)aromatic compound for inhibiting protein kinase activity SHENZHEN TARGETRX, INC. (CN) 2023-12-12 — — US disclosed
US-20210284646-A1 ALKYNYL(HETERO)AROMATIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2021-09-16 — — US disclosed
EP-3795571-A1 ALKYNYL(HETERO)AROMATIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY Shenzhen TargetRx, Inc. (CN) 2021-03-24 — — EP 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-20210284646-A1 ALKYNYL(HETERO)AROMATIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY ALK, BRAF, DSTYK KIT 857/4885BRAF 2/4885RAF1 6/4885
US-11840535-B2 Alkynyl(hetero)aromatic compound for inhibiting protein kinase activity ALK, BRAF, DSTYK KIT 857/4885BRAF 2/4885RAF1 6/4885

“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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