Sugi Predict

Sugi Predict / Compounds / SCHEMBL4440939

SCHEMBL4440939

SCHEMBL4440939

CN(C)CCNc1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 1.00
▸ CYP1A2 P05177 1/20 0.56
▸ HRH3 Q9Y5N1 1/20 0.54
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ CXCR4 P61073 1/20 0.52
▸ FABP1 P07148 1/20 0.50
▸ FABP6 P51161 1/20 0.50
▸ CYP2D6 P10635 1/20 0.49
▸ ALPG P10696 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ DNM2 P50570 3/20 0.46
▸ TP53 P04637 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL29943771 1.00 CYP2C19 (1.00) CYP2C19CYP1A2HRH3NPC1RAB9A
SCHEMBL14980580 0.89 CYP2C19 (0.81) CYP2C19CYP1A2HRH3NPC1RAB9A
SCHEMBL11162995 0.87 CYP2C19 (0.75) CYP2C19CYP1A2HRH3NPC1RAB9A
SCHEMBL16491455 0.84 CYP2C19 (0.73) CYP2C19CYP1A2HRH3NPC1RAB9A
SCHEMBL28987130 0.83 CYP2C19 (0.71) CYP2C19CYP1A2NPC1RAB9AGAA
SCHEMBL16491464 0.83 CYP2C19 (0.71) CYP2C19CYP1A2HRH3NPC1RAB9A
SCHEMBL10606566 0.82 CYP2C19 (0.70) CYP2C19CYP1A2NPC1RAB9AGAA
SCHEMBL3265804 0.82 CYP1A2 (0.70) CYP2C19CYP1A2NPC1RAB9AGAA
SCHEMBL16493430 0.81 CYP2C19 (0.69) CYP2C19CYP1A2NPC1RAB9AGAA
SCHEMBL29945588 0.81 CYP2C19 (0.68) CYP2C19CYP1A2NPC1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482938-A1 PHARMACEUTICAL COMPOSITION OF A PDE4 OR A PDE3/4 INHIBITOR AND A HISTAMINE RECEPTOR ANTAGONIST ALTANA Pharma AG (DE) 2004-12-08 — — EP claimed
WO-2003074055-A1 PHARMACEUTICAL COMPOSITION OF A PDE4 OR A PDE3/4 INHIBITOR AND A HISTAMINE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-09-12 — — WO claimed
EP-3719012-B1 N-[4-[(2-AMINO-4-PYRIDINYL)OXY]-3-FLUOROPHENYL]-3-(4-FLUOROPHENYL)-1,2,3,4-TETRAHYDRO-2,4-DIOXO-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AS C-MET/AXL INHIBITORS FOR THE TREATMENT OF TUMORS MEDSHINE DISCOVERY INC (CN) 2024-03-06 — — EP disclosed
EP-4198027-A1 SUSTAINABLE PROCESS FOR THE SYNTHESIS OF MOLECULES WITH ANTIHISTAMINE ACTIVITY IN UNCONVENTIONAL BIODEGRADABLE SOLVENTS (DEEP EUTECTIC SOLVENTS) Universita' Degli Studi di Bari (IT) 2023-06-21 — — EP disclosed
US-9914712-B2 Antibacterial thiazolecarboxylic acids ANTABIO SAS (FR) 2018-03-13 — — US disclosed
CN-107690281-A Cystic fibrosis transmembrane transduction modulator modulators 弗特克斯药品有限公司 2018-02-13 — — CN disclosed
US-9394253-B2 Kinase protein binding inhibitors HEALTH RESEARCH, INC. (US) 2016-07-19 — — US disclosed
US-9394253-B2 Kinase protein binding inhibitors HEALTH RESEARCH, INC. (US) 2016-07-19 — — US disclosed
US-8969577-B2 Curable composition comprising a thermolatent base BASF SE (DE) 2015-03-03 — — US disclosed
US-8969577-B2 Curable composition comprising a thermolatent base BASF SE (DE) 2015-03-03 — — US disclosed
US-20150051245-A1 KINASE PROTEIN BINDING INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-19 — — US disclosed
WO-2010115264-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 — — WO disclosed
WO-2010057922-A1 CURABLE COMPOSITION COMPRISING A THERMOLATENT BASE BASF SE (DE) 2010-05-27 — — WO disclosed
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 — — EP disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 — — US disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 — — WO disclosed
WO-2003035070-A1 ANTIHISTAMINIC/ANTITUSSIVE COMPOSITIONS MEDPOINTE HEALTHCARE, INC. (US) 2003-05-01 — — WO disclosed
US-20030083354-A1 Phenylephrine tannate and pyrilamine tannate salts in pharmaceutical compositions PEDIAMED PHARMACEUTICALS, INC. 2003-05-01 — — US disclosed
EP-0091790-B1 PROCESS FOR PREPARING 2-ALKYLAMINO- AND 2-AMINO-5-ALKYLPYRIDINES REILLY INDUSTRIES, INC. (US) 1989-11-15 — — EP disclosed
US-4203988-A ANTISECRETORY AGENTS MERCK & CO., INC. (US) 1980-05-20 — — 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 (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-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS MET, DMPK, RET CYP2C19 2743/4885CYP1A2 3348/4885HRH3 1496/4885
US-20150051245-A1 KINASE PROTEIN BINDING INHIBITORS PACSIN2, PRKCH, CKS1B CYP2C19 4702/4885CYP1A2 4514/4885HRH3 3936/4885

“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.