Sugi Predict

Sugi Predict / Compounds / SCHEMBL2018538

SCHEMBL2018538

SCHEMBL2018538

CC(C)(C)c1ccnc(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.36
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ RPS6KA5 O75582 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.30
▸ CYP2A6 P11509 1/20 0.30
▸ LMNA P02545 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL31543495 0.84 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA3RPS6KA5
SCHEMBL1661164 0.84 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA3RPS6KA5
SCHEMBL2020306 0.83 CYP19A1 (0.37) SYKGABRA1GABRG2GABRB3GABRA3
SCHEMBL26686630 0.83 GABRA1 (0.38) SYKGABRA1GABRG2GABRB3GABRA3
SCHEMBL20015961 0.83 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA3RPS6KA5
SCHEMBL30632766 0.83 GABRA1 (0.38) SYKGABRA1GABRG2GABRB3GABRA3
SCHEMBL23671169 0.79 TDP1 (0.35) GABRA1GABRG2GABRB3GABRA3NPC1
SCHEMBL7171955 0.79 CYP3A4 (0.46) GABRA1GABRG2GABRB3GABRA3RPS6KA5
SCHEMBL22576011 0.78 NUDT1 (0.34) GABRA1GABRG2GABRB3GABRA3CYP19A1
SCHEMBL31009000 0.78 NUDT1 (0.34) GABRA1GABRG2GABRB3GABRA3CYP19A1

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 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117659017-B TRPML1/2 modulator compound, pharmaceutical composition, preparation method and application thereof 北京华益健康药物研究中心 2026-05-15 — — CN disclosed
EP-4720037-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 16380026 Canada Inc. (CA) 2026-04-08 — — EP disclosed
EP-4720036-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 16380026 Canada Inc. (CA) 2026-04-08 — — EP disclosed
US-20250122152-A1 KAT6 Inhibitors BEIGENE SWITZERLAND GMBH (CH) 2025-04-17 — — US disclosed
WO-2025068943-A1 KAT6 INHIBITORS BEIGENE SWITZERLAND GMBH (CH) 2025-04-03 — — WO disclosed
WO-2025062334-A1 4-((5-(3-(4-(PYRIDIN-2-YL)CYCLOPENTYL)-1 H-PYRAZOL-3-YL)AMINO)-BENZENESULFONAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS CDK INHIBITORS FOR THE TREATMENT OF CANCER BEIGENE SWITZERLAND GMBH (CH) 2025-03-27 — — WO disclosed
EP-3870577-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2025-03-19 — — EP disclosed
EP-4477656-A2 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2024-12-18 — — EP disclosed
WO-2024243692-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF QUEEN'S UNIVERSITY AT KINGSTON (CA) 2024-12-05 — — WO disclosed
CN-119019461-A Organic electroluminescent material and device 环球展览公司 2024-11-26 — — CN disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 — — US disclosed
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 — — US disclosed
WO-2011075517-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 — — WO disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 — — WO disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 — — US disclosed
US-20100056530-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2010-03-04 — — US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 — — US disclosed
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 — — EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 — — WO disclosed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 — — 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 (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-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK SYK 1/4885HRH4 266/4885GABRA1 3283/4885
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF SYK 1869/4885HRH4 2342/4885GABRA1 4821/4885
US-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP SYK 1478/4885HRH4 22/4885GABRA1 4592/4885
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 SYK 1520/4885HRH4 188/4885GABRA1 261/4885
US-20250122152-A1 KAT6 Inhibitors KAT6A, KAT6B, KAT7 SYK 3453/4885HRH4 2180/4885GABRA1 3909/4885
US-20100056530-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 SYK 2969/4885HRH4 4460/4885GABRA1 3129/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 SYK 4649/4885HRH4 3676/4885GABRA1 403/4885

“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.