SCHEMBL14704625

SCHEMBL14704625

CCC(C)C(=O)Nc1ccc(CN2CCN(CC)CC2)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 5/20 0.59
▸ KDR P35968 4/20 0.59
▸ MKNK2 Q9HBH9 10/20 0.56
▸ MKNK1 Q9BUB5 8/20 0.56
▸ ABL1 P00519 6/20 0.56
▸ BCR P11274 6/20 0.56
▸ KIT P10721 4/20 0.53
▸ CLK1 P49759 2/20 0.53
▸ PDGFRB P09619 2/20 0.53
▸ PDGFRA P16234 2/20 0.53
▸ FGFR2 P21802 2/20 0.53
▸ FLT3 P36888 2/20 0.53
▸ STK25 O00506 1/20 0.53
▸ CIT O14578 1/20 0.53
▸ MAP2K7 O14733 1/20 0.53
▸ IKBKB O14920 1/20 0.53
▸ AURKA O14965 1/20 0.53
▸ GAK O14976 1/20 0.53
▸ CHUK O15111 1/20 0.53
▸ MUSK O15146 1/20 0.53

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
SCHEMBL12516824 0.92 RET (0.62) RETKDRMKNK2MKNK1ABL1
SCHEMBL27088109 0.85 RET (0.64) RETKDRMKNK2MKNK1ABL1
SCHEMBL14704589 0.85 MKNK2 (0.65) RETKDRMKNK2MKNK1ABL1
SCHEMBL17208644 0.85 RET (0.64) RETKDRMKNK2MKNK1ABL1
SCHEMBL16587312 0.85 RET (0.64) RETKDRMKNK2MKNK1ABL1
SCHEMBL3182950 0.84 RET (0.63) RETKDRMKNK2MKNK1ABL1
SCHEMBL16380144 0.84 RET (0.63) RETKDRMKNK2MKNK1ABL1
SCHEMBL15785403 0.84 MKNK2 (0.65) RETKDRMKNK2MKNK1ABL1
SCHEMBL16587846 0.83 RET (0.68) RETKDRMKNK2MKNK1ABL1
SCHEMBL12517060 0.83 KIT (0.64) ABL1KITEGFRSRCBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11826365-B2 Type II raf kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-28 — — US disclosed
US-20200297721-A1 TYPE II RAF KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-24 — — US disclosed
US-20130040949-A1 TYPE II RAF KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-02-14 — — 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 (3 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-11826365-B2 Type II raf kinase inhibitors BRAF, RAF1, ARAF RET 55/4885KDR 657/4885MKNK2 72/4885
US-20200297721-A1 TYPE II RAF KINASE INHIBITORS BRAF, RAF1, ARAF RET 55/4885KDR 657/4885MKNK2 72/4885
US-20130040949-A1 TYPE II RAF KINASE INHIBITORS BRAF, RAF1, ARAF RET 55/4885KDR 657/4885MKNK2 72/4885

“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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