SCHEMBL29918362

SCHEMBL29918362

OCc1ccc(Oc2ccnc(C(F)(F)F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.46
▸ LOXL2 Q9Y4K0 3/20 0.45
▸ NR1H2 P55055 2/20 0.44
▸ NR1H3 Q13133 2/20 0.44
▸ LOX P28300 2/20 0.44
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MGLL Q99685 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP7 P09237 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ BRAF P15056 1/20 0.36

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
SCHEMBL14662593 1.00 LTA4H (0.46) LTA4HLOXL2NR1H2NR1H3LOX
SCHEMBL24999942 0.88 LOXL2 (0.43) LOXL2NR1H2NR1H3LOXCYP3A4
SCHEMBL29769124 0.88 LOXL2 (0.43) LOXL2NR1H2NR1H3LOXCYP3A4
SCHEMBL15832930 0.85 LOXL2 (0.61) LOXL2LOXCYP3A4CYP2C19ALOX5AP
SCHEMBL27894825 0.83 LOXL2 (0.50) LOXL2LOXCYP3A4CYP2C19ALOX5AP
SCHEMBL2145774 0.82 LOXL2 (0.50) LOXL2LOXALOX5APFEN1
SCHEMBL15155221 0.82 MGLL (0.45) LOXL2LOXMGLL
SCHEMBL14662000 0.82 KDR (0.46) LOXL2LOXALOX5APFEN1KDR
SCHEMBL29769075 0.82 KDR (0.46) LOXL2LOXALOX5APFEN1KDR
Hydrochloric Acid SCHEMBL15155146 0.81 LOXL2 (0.51) LOXL2LOXALOX5APFEN1

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-20230044787-A1 TRICYCLE DIHYDROIMIDAZOPYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI SIMRD BIOTECHNOLOGY CO., LTD. (CN) 2023-02-09 — — US disclosed
EP-4056571-A1 TRICYCLIC DIHYDROIMIDAZOPYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2022-09-14 — — 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 (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 LTA4H 7/4885LOXL2 383/4885NR1H2 463/4885

“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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