SCHEMBL10211456

SCHEMBL10211456

COC(=O)c1ccc(-c2cnc(C(=O)OC)c3cccn23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ GAA P10253 1/20 0.46
▸ FGFR1 P11362 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ FBP1 P09467 1/20 0.41
▸ TTK P33981 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ ALDH1A2 O94788 1/20 0.40
▸ ALDH1A3 P47895 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40

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
SCHEMBL11911082 0.93 MAPT (0.40) MAPTGAAFGFR1ALDH1A1KDM4E
SCHEMBL11910985 0.90 ALDH1A1 (0.41) MAPTGAAALDH1A1KDM4ERAB9A
SCHEMBL10209898 0.74 MAPT (0.44) MAPTGAAFGFR1ALDH1A1KDM4E
SCHEMBL11910992 0.74 MAPT (0.46) MAPTGAAFGFR1ALDH1A1KDM4E
SCHEMBL3850100 0.71 PIK3CA (0.53) ALDH1A1KDM4EMKNK1MKNK2ALDH1A3
SCHEMBL31096093 0.71 KDR (0.54) RAB9AMKNK1MKNK2HPGD
SCHEMBL343950 0.70 ALDH1A1 (0.42) MAPTGAAFGFR1ALDH1A1KDM4E
SCHEMBL137206 0.69 TTK (0.50) MAPTGAAALDH1A1KDM4ETTK
SCHEMBL27549644 0.69 TSHR (0.47) MAPTALDH1A1KDM4EFBP1RAB9A
SCHEMBL15298893 0.68 MKNK1 (0.50) ALDH1A1MKNK1MKNK2ALDH1A3ATM

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-20120195857-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-08-02 — — US disclosed
WO-2012021591-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-16 — — WO 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-20120195857-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MAPT 4065/4885GAA 223/4885FGFR1 4717/4885

“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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