SCHEMBL30203055

SCHEMBL30203055

O=C(Nc1ccc(Oc2ccn(-c3ccnc(F)c3)n2)cc1F)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ELOVL1 Q9BW60 1/20 0.41
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ MET P08581 2/20 0.39
▸ FAAH O00519 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ PPIA P62937 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ BRAF P15056 3/20 0.36
▸ TACR3 P29371 1/20 0.36
▸ CASP3 P42574 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MGAT2 Q10469 1/20 0.36
▸ RET P07949 1/20 0.35

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
SCHEMBL23355477 0.85 ELOVL1 (0.43) ELOVL1BRAF
SCHEMBL30203207 0.85 NPC1 (0.41) RAB9ANPC1METFAAHMGLL
SCHEMBL23355358 0.82 NPC1 (0.45) RAB9ANPC1METFAAHMGLL
SCHEMBL21612828 0.77 NPC1 (0.43) RAB9ANPC1FAAHMGLLPOLB
SCHEMBL12992197 0.76 MAPK14 (0.52) RAB9ANPC1METPPIAPOLB
SCHEMBL1727470 0.76 NPC1 (0.47) RAB9ANPC1METMGLLPPIA
SCHEMBL14050311 0.76 NPC1 (0.49) RAB9ANPC1METPPIAPOLB
SCHEMBL1726424 0.75 MAPK14 (0.48) RAB9ANPC1BRAF
SCHEMBL23368156 0.75 NPC1 (0.47) RAB9ANPC1METMGLLPPIA
SCHEMBL30203116 0.75 NPC1 (0.47) RAB9ANPC1METMGLLPPIA

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-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-01-26 — — 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-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES ERBB2, EGFR, ERBB3 ELOVL1 3385/4885RAB9A 667/4885NPC1 2118/4885

“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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