SCHEMBL3407965

SCHEMBL3407965

Cc1ccc(N)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
AAK1 Q2M2I8 2/20 0.48
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
HDAC2 Q92769 5/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC3 O15379 2/20 0.44
CISD2 Q8N5K1 1/20 0.43
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL29741562 1.00 HPGD (0.49) HPGDAAK1CYP1A2CYP2C19CYP2C9
SCHEMBL3410364 0.87 HPGD (0.49) HPGDAAK1CYP1A2CYP2C19CYP2C9
SCHEMBL2227781 0.87 AAK1 (0.48) AAK1HDAC2HDAC1HDAC3
SCHEMBL30313179 0.86 ALDH1A1 (0.45) HPGDAAK1CYP1A2CYP2C19CYP2C9
SCHEMBL20057682 0.86 AAK1 (0.47) AAK1HDAC2HDAC1HDAC3LMNA
SCHEMBL29549489 0.84 HDAC1 (0.50) AAK1HDAC2HDAC1HDAC3
SCHEMBL28445012 0.84 AAK1 (0.65) AAK1HDAC2HDAC1HDAC3SMN1; SMN2
SCHEMBL826795 0.84 HDAC1 (0.50) AAK1HDAC2HDAC1HDAC3
SCHEMBL15550749 0.84 AAK1 (0.46) AAK1HDAC2HDAC1HDAC3
SCHEMBL4568018 0.83 NLRP3 (0.55) HPGDCYP1A2CYP2C19CYP2C9HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981665-B2 Substituted pyrimidines, pharmaceutical compositions and therapeutic methods thereof CHEN ZHIHONG (US) 2024-05-14 US disclosed
CN-111683662-B Substituted pyrimidine compounds, pharmaceutical compositions and methods of treatment 陈志宏 2024-04-02 CN disclosed
CN-117736198-A Macrocyclic nitrogen crown ether compounds and their use as protein kinase inhibitors 科辉智药生物科技(深圳)有限公司 2024-03-22 CN disclosed
US-20230109688-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF CHEN ZHIHONG (US) 2023-04-13 US disclosed
EP-3675860-B1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF ZHIHONG CHEN (US) 2023-03-08 EP disclosed
US-11440904-B2 Substituted pyrimidines, pharmaceutical compositions and therapeutic methods thereof CHEN ZHIHONG (US) 2022-09-13 US disclosed
EP-2751095-B1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD BURNHAM MED RES INST (US) 2021-10-27 EP disclosed
CN-111683662-A Substituted pyrimidines, pharmaceutical compositions and methods of treatment 陈志宏 2020-09-18 CN disclosed
EP-3675860-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF Zhihong, Chen (US) 2020-07-08 EP disclosed
US-20200190068-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF CHEN ZHIHONG (US) 2020-06-18 US disclosed
EP-2262795-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF AstraZeneca AB (SE) 2010-12-22 EP disclosed
US-7645785-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
WO-2009110844-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF ASTRAZENECA AB (SE) 2009-09-11 WO disclosed
WO-2009110844-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF ASTRAZENECA AB (SE) 2009-09-11 WO disclosed
US-20090221642-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF-176 ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221642-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF-176 ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221642-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF-176 ASTRAZENECA AB (SE) 2009-09-03 US disclosed
EP-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
US-20080021027-A1 Novel benzimidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-01-24 US disclosed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 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 (6 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-20200190068-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF BTK, PTK2, LCK HPGD 1937/4885AAK1 688/4885CYP1A2 4639/4885
US-20090221642-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF-176 CHRM1, CHRM2, CHRM3 HPGD 1110/4885AAK1 1761/4885CYP1A2 312/4885
US-20080021027-A1 Novel benzimidazole derivatives NR1H4, GPR119, GLP1R HPGD 4121/4885AAK1 2309/4885CYP1A2 811/4885
US-20230109688-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF BTK, PTK2, LCK HPGD 1937/4885AAK1 688/4885CYP1A2 4639/4885
US-11981665-B2 Substituted pyrimidines, pharmaceutical compositions and therapeutic methods thereof BTK, PTK2, LCK HPGD 1937/4885AAK1 688/4885CYP1A2 4639/4885
US-11440904-B2 Substituted pyrimidines, pharmaceutical compositions and therapeutic methods thereof BTK, PTK2, LCK HPGD 1937/4885AAK1 688/4885CYP1A2 4639/4885

“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.