SCHEMBL23344937

SCHEMBL23344937

CC(C)(C)c1ccnc(C(F)F)c1F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 8/20 0.33
FEN1 P39748 8/20 0.33
AAK1 Q2M2I8 2/20 0.32
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL25144324 0.81
SCHEMBL11954930 0.75 ALOX5AP (0.34) ALOX5APFEN1AAK1MEN1ALDH1A1
SCHEMBL24453275 0.74 IDH1 (0.38) ALOX5APFEN1ALDH1A1KMT2ANPSR1
SCHEMBL21718461 0.74 MEN1 (0.35) ALOX5APFEN1AAK1MEN1ALDH1A1
SCHEMBL22308085 0.74 CCR1 (0.37) AAK1
SCHEMBL22543805 0.74 ALOX5AP (0.33) ALOX5APFEN1MEN1ALDH1A1KMT2A
SCHEMBL24597184 0.73 LOXL2 (0.30)
SCHEMBL3104097 0.72 MEN1 (0.34) ALOX5APFEN1MEN1ALDH1A1KMT2A
SCHEMBL18590248 0.72 ALOX5AP (0.39) ALOX5APFEN1AAK1
SCHEMBL11955164 0.72 AAK1 (0.34) ALOX5APFEN1AAK1MEN1ALDH1A1

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-11168102-B1 Bicyclic heteroaryl compounds and uses thereof Revolution Medicines, Inc. (US) 2021-11-09 US disclosed
US-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. 2021-05-13 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-11168102-B1 Bicyclic heteroaryl compounds and uses thereof SOS1, SOST, SOS2 ALOX5AP 3125/4885FEN1 3865/4885AAK1 2504/4885
US-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 ALOX5AP 2740/4885FEN1 3365/4885AAK1 2663/4885

“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.