SCHEMBL222852

SCHEMBL222852

O=C(O)c1cc(-c2ccncc2)n[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.74
ALPL P05186 10/20 0.70
CA12 O43570 5/20 0.70
RPA1 P27694 1/20 0.68
CA9 Q16790 3/20 0.62
PIN1 Q13526 1/20 0.57
MARS1 P56192 1/20 0.56
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
KDM4E B2RXH2 1/20 0.54
CHEK1 O14757 1/20 0.53

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
Hydrochloric Acid SCHEMBL27639048 0.98 TP53 (0.72) TP53ALPLCA12RPA1CA9
SCHEMBL726574 0.85 TP53 (1.00) TP53ALPLCA12RPA1CA9
SCHEMBL22414089 0.84 HDAC3 (0.53) TP53ALPLCA12RPA1CA9
SCHEMBL4789868 0.84 CCNC (0.54) TP53ALPLCA12RPA1HDAC3
SCHEMBL31412652 0.83 TP53 (0.65) TP53ALPLCA12RPA1CA9
SCHEMBL1414100 0.82 ALPL (1.00) TP53ALPLCA12RPA1CA9
SCHEMBL1816813 0.81 TP53 (0.73) TP53ALPLCA12RPA1CA9
SCHEMBL23803931 0.81 ALPL (0.73) TP53ALPLCA12RPA1CA9
SCHEMBL3447352 0.81 ALPL (1.00) TP53ALPLCA12RPA1CA9
SCHEMBL645330 0.81 ALPL (1.00) TP53ALPLCA12RPA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101903340-B Substituted N-phenyl bipyrrolidine carboxamides and therapeutic use thereof SANOFI AVENTIS 2013-03-27 CN claimed
US-8252824-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2012-08-28 US claimed
CN-101903340-A Substituted N-phenyl bipyrrolidine carboxamides and therapeutic use thereof SANOFI AVENTIS 2010-12-01 CN claimed
EP-2212283-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP claimed
US-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US claimed
WO-2009052062-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO claimed
WO-2025045746-A1 PYRAZOLE DERIVATIVES AS SARM1 INHIBITORS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2025-03-06 WO disclosed
EP-4308558-A1 MODULATORS OF FPR1 AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2024-01-24 EP disclosed
US-20210278408-A1 METHODS OF TREATMENT OF CANCER WITH SUBSTITUTED PYRROLE AND PYRAZOLE COMPOUNDS AND DIAGNOSIS OF CANCERS SUSCEPTIBLE TO TREATMENT WITH SUBSTITUTED PYRROLE AND PYRAZOLE COMPOUNDS BANTAM PHARMACEUTICAL LLC (US) 2021-09-09 US disclosed
US-10807966-B2 Heterocyclic compounds as kinase inhibitors TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2020-10-20 US disclosed
US-20200255448-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC 2020-08-13 US disclosed
US-10633393-B2 Heterocyclic compounds as kinase inhibitors Translational Drug Development (US) 2020-04-28 US disclosed
CN-110382481-A Heterocyclic compounds as kinase inhibitors 转化药物开发有限责任公司 2019-10-25 CN disclosed
EP-2212283-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP disclosed
US-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
US-20090253745-A1 MODULATORS OF OCULAR OXIDATIVE STRESS SIRION THERAPEUTICS, INC. (US) 2009-10-08 US disclosed
US-20090253745-A1 MODULATORS OF OCULAR OXIDATIVE STRESS SIRION THERAPEUTICS, INC. (US) 2009-10-08 US disclosed
WO-2009070693-A2 MODULATORS OF OCULAR OXIDATIVE STRESS SIRION THERAPEUTICS, INC (US) 2009-06-04 WO disclosed
WO-2009052062-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed
CN-1747949-A Acyclic pyrazole compounds PHARMACIA CORP (US) 2006-03-15 CN 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-20090253745-A1 MODULATORS OF OCULAR OXIDATIVE STRESS GPX4, GPX1, ALDH1A2 TP53 4638/4885ALPL 1540/4885CA12 2862/4885
US-10807966-B2 Heterocyclic compounds as kinase inhibitors MAP3K1, MAP3K20, MAP3K5 TP53 2424/4885ALPL 4779/4885CA12 4180/4885
US-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 TP53 4059/4885ALPL 4778/4885CA12 3376/4885
US-10633393-B2 Heterocyclic compounds as kinase inhibitors MAP3K1, MAP3K20, MAP3K5 TP53 2424/4885ALPL 4779/4885CA12 4180/4885
US-20210278408-A1 METHODS OF TREATMENT OF CANCER WITH SUBSTITUTED PYRROLE AND PYRAZOLE COMPOUNDS AND DIAGNOSIS OF CANCERS SUSCEPTIBLE TO TREATMENT WITH SUBSTITUTED PYRROLE AND PYRAZOLE COMPOUNDS TP53, MKI67, VHL TP53 1/4885ALPL 4652/4885CA12 728/4885
US-20200255448-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K5 TP53 2424/4885ALPL 4779/4885CA12 4180/4885

“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.