SCHEMBL24998613

SCHEMBL24998613

OCCc1ccc(Oc2ccnc(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.45
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
BRAF P15056 5/20 0.41
LOXL2 Q9Y4K0 2/20 0.38
LOX P28300 1/20 0.38
MET P08581 2/20 0.37
TGFBR1 P36897 1/20 0.37
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
GRM2 Q14416 1/20 0.35
PPARD Q03181 1/20 0.34

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
SCHEMBL29769075 0.90 KDR (0.46) KDRALOX5APFEN1BRAFLOXL2
SCHEMBL14662000 0.90 KDR (0.46) KDRALOX5APFEN1BRAFLOXL2
SCHEMBL29769056 0.85 LOXL2 (0.40) KDRALOX5APFEN1LOXL2LOX
SCHEMBL24998894 0.85 LOXL2 (0.40) KDRALOX5APFEN1LOXL2LOX
SCHEMBL24999602 0.83 AR (0.45) KDR
SCHEMBL24999942 0.83 LOXL2 (0.43) KDRALOX5APFEN1BRAFLOXL2
SCHEMBL29769124 0.83 LOXL2 (0.43) KDRALOX5APFEN1BRAFLOXL2
SCHEMBL876505 0.82 PLAAT3 (0.43) S1PR1S1PR3
SCHEMBL9104846 0.80 S1PR1 (0.36) S1PR1S1PR3PPARD
SCHEMBL24998880 0.78 KDR (0.46) KDRALOX5APFEN1BRAFTGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230044787-A1 TRICYCLE DIHYDROIMIDAZOPYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI SIMRD BIOTECHNOLOGY CO., LTD. (CN) 2023-02-09 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 (1 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-20230044787-A1 TRICYCLE DIHYDROIMIDAZOPYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF LYPLAL1, LYPLA1, LYPLA2 KDR 3060/4885ALOX5AP 54/4885FEN1 3312/4885

“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.