SCHEMBL2096775

SCHEMBL2096775

CC(C)(C)C(=O)Nc1ncccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LIPE Q05469 7/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CXCR2 P25025 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ KLF5 Q13887 1/20 0.34

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
SCHEMBL12077065 0.85 RAB9A (0.40) L3MBTL1ALDH1A1LIPECYP1A2CYP2C9
SCHEMBL18342440 0.85 MEN1 (0.38) ALDH1A1LIPECYP1A2NPC1RAB9A
SCHEMBL613746 0.84 AAK1 (0.41) LIPEDGAT1
SCHEMBL29269315 0.78 CETP (0.49) L3MBTL1ALDH1A1LIPERAB9AKDM4E
SCHEMBL16967950 0.77 LPL (0.35) LIPENPC1RAB9AKDM4ECXCR2
SCHEMBL1301671 0.74 L3MBTL1 (0.41) L3MBTL1LIPECYP1A2CYP3A4CYP2C9
SCHEMBL31441746 0.73 LRRK2 (0.33) L3MBTL1ALDH1A1LIPEKDM4ESMN1; SMN2
SCHEMBL22574535 0.73 LPL (0.37) ALDH1A1LIPECYP1A2CYP3A4CYP2C9
SCHEMBL25175274 0.72 KMT2A (0.39) ALDH1A1LIPECYP1A2CYP3A4CYP2C9
SCHEMBL22585908 0.72 DHODH (0.44) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304537-A1 HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2025-10-02 — — US disclosed
EP-4526293-A1 HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME Repare Therapeutics Inc. (CA) 2025-03-26 — — EP disclosed
WO-2023220831-A1 HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-23 — — WO disclosed
US-20140206671-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-24 — — US disclosed
US-20130090331-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 — — US disclosed
EP-2079740-B1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMA (US) 2012-12-05 — — EP disclosed
US-8163732-B2 Tricyclic heteroaryl compounds useful as inhibitors of Janus kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 — — US disclosed
US-8026241-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2011-09-27 — — US disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 — — US disclosed
US-20100081645-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-01 — — US disclosed
US-7582761-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-09-01 — — US disclosed
EP-2079740-A2 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE Vertex Pharmaceuticals, Inc. (US) 2009-07-22 — — EP disclosed
US-20090143575-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS BALAN CHENERA 2009-06-04 — — US disclosed
WO-2008079521-A2 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-07-03 — — WO disclosed
EP-1551811-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Amgen Inc. (US) 2005-07-13 — — EP disclosed
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2004-08-05 — — US disclosed
WO-2004035549-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2004-04-29 — — 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 (7 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-20130090331-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE JAK2, JAK1, JAK3 L3MBTL1 1754/4885ALDH1A1 3869/4885LIPE 2673/4885
US-20250304537-A1 HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME CSNK1A1, CSNK1G1, CSNK2A1 L3MBTL1 3552/4885ALDH1A1 4490/4885LIPE 3605/4885
US-20100081645-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE JAK2, JAK1, JAK3 L3MBTL1 1754/4885ALDH1A1 3869/4885LIPE 2673/4885
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B L3MBTL1 2485/4885ALDH1A1 451/4885LIPE 4512/4885
US-20090143575-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV3, TRPV2 L3MBTL1 4498/4885ALDH1A1 2629/4885LIPE 1463/4885
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 L3MBTL1 4125/4885ALDH1A1 2522/4885LIPE 1306/4885
US-20140206671-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE JAK2, JAK1, JAK3 L3MBTL1 1754/4885ALDH1A1 3869/4885LIPE 2673/4885

“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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