SCHEMBL2026663

SCHEMBL2026663

NC(=O)c1ccc(-c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ PARP1 P09874 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ BCAT2 O15382 2/20 0.52
▸ MKNK1 Q9BUB5 3/20 0.51
▸ MKNK2 Q9HBH9 2/20 0.51
▸ CHEK2 O96017 4/20 0.51
▸ DHODH Q02127 2/20 0.50
▸ PTGS2 P35354 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL30903715 1.00 L3MBTL1 (0.52) L3MBTL1POLBCYP3A4PARP1MAPT
Hydrochloric Acid SCHEMBL28812686 0.98 CHEK2 (0.50) L3MBTL1POLBCYP3A4PARP1MAPT
SCHEMBL5307129 0.93 BAZ2B (0.51) L3MBTL1POLBCYP3A4PARP1MAPT
SCHEMBL22289582 0.87 CHEK2 (0.51) MAPTMKNK1MKNK2CHEK2DHODH
SCHEMBL944091 0.85 BCAT2 (0.63) L3MBTL1POLBCYP3A4PARP1MAPT
SCHEMBL3781170 0.85 MKNK1 (0.53) L3MBTL1POLBCYP3A4PARP1MAPT
SCHEMBL3265708 0.85 BCAT2 (0.63) L3MBTL1POLBCYP3A4PARP1MAPT
SCHEMBL3788399 0.85 CHEK2 (0.53) L3MBTL1POLBCYP3A4PARP1MAPT
SCHEMBL16428951 0.85 BACE1 (0.54) L3MBTL1POLBCYP3A4PARP1MAPT
SCHEMBL36018 0.83 TTR (0.62) L3MBTL1POLBMAPTTSHRTDP1

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
WO-2025085662-A1 COMPOUNDS FOR TOCOLYTIC USE VANDERBILT UNIVERSITY (US) 2025-04-24 — — WO disclosed
EP-3464319-A2 INTERMEDIATES AND PROCESSES TO PREPARE ANIDULAFUNGIN Alaparthi, Lakshmi Prasad (IN) 2019-04-10 — — EP disclosed
WO-2016056022-A2 INTERMEDIATES AND PROCESSES TO PREPARE ANIDULAFUNGIN ALAPARTHI LAKSHMI PRASAD (IN) 2016-04-14 — — WO disclosed
US-9096600-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2015-08-04 — — US disclosed
US-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2012-06-21 — — US disclosed
WO-2011075747-A1 THERAPEUTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-06-23 — — WO disclosed
WO-1994027949-A1 NOVEL HYDROXYBIPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1994-12-08 — — 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-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB L3MBTL1 3068/4885POLB 1091/4885CYP3A4 4255/4885

“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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