SCHEMBL4774891

SCHEMBL4774891

Brc1csc(C2=CCOCC2)c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ AAK1 Q2M2I8 1/20 0.30
▸ MAPK14 Q16539 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
SCHEMBL4763681 0.75 SNCA (0.33) PIK3CDPIK3CAAAK1MAPK14
SCHEMBL4772120 0.69 HTR2C (0.46) PIK3CDPIK3CAPIK3CBPIK3CGAAK1
SCHEMBL24270120 0.68 PDE3B (0.36) PIK3CDPIK3CAPIK3CBPIK3CGMAPK14
SCHEMBL932928 0.67 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGMAPK14
SCHEMBL771882 0.66 CES2 (0.43) MAPK14
SCHEMBL31706654 0.66 DYRK1A (0.41) PIK3CDPIK3CAPIK3CBPIK3CGAAK1
SCHEMBL15260158 0.66 PIK3CA (0.39) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24156076 0.66 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGMAPK14
SCHEMBL967126 0.65 MAPK14 (0.38) PIK3CDPIK3CAMAPK14
SCHEMBL14853391 0.64 PDE3B (0.41) PIK3CDPIK3CAPIK3CBPIK3CGAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 — — EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 — — US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 — — US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 — — US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 — — US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 — — US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 — — 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 (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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 PIK3CD 3238/4885PIK3CA 2853/4885PIK3CB 2927/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PIK3CD 3004/4885PIK3CA 3278/4885PIK3CB 3243/4885

“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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