SCHEMBL524339

SCHEMBL524339

COc1ccc(C#N)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.58
PDE5A O76074 8/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
MCL1 Q07820 1/20 0.51
SLC6A4 P31645 2/20 0.49
ESRRA P11474 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL29687043 1.00 AR (0.58) ARPDE5AMEN1KMT2AALDH1A1
SCHEMBL29686873 0.87 AR (0.54) ARPDE5AMEN1KMT2AALDH1A1
SCHEMBL4183157 0.85 AR (0.73) ARPDE5AMEN1KMT2AALDH1A1
SCHEMBL524184 0.84 AR (0.51) ARPDE5AMEN1KMT2AALDH1A1
SCHEMBL4182930 0.84 AR (0.62) ARPDE5AMEN1KMT2AALDH1A1
SCHEMBL4184976 0.84 AR (0.62) ARPDE5AMEN1KMT2AALDH1A1
SCHEMBL1477015 0.82 PDE5A (0.44) ARPDE5AMEN1KMT2AALDH1A1
SCHEMBL4175734 0.81 AR (0.59) ARSLC6A4ESRRASLC6A3KCNH2
SCHEMBL509522 0.81 AR (0.66) ARMEN1KMT2AALDH1A1MAPT
SCHEMBL29490258 0.81 AR (0.66) ARMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 WO disclosed
EP-4267555-A1 OCTAHYDROISOQUINOLINYL DERIVATIVES UCB Biopharma SRL (BE) 2023-11-01 EP disclosed
CN-116507332-A Octahydroisoquinolinyl derivatives UCB生物制药有限责任公司 2023-07-28 CN disclosed
WO-2022117678-A1 OCTAHYDROISOQUINOLINYL DERIVATIVES UCB Biopharma SRL (BE) 2022-06-09 WO disclosed
WO-2022117678-A1 OCTAHYDROISOQUINOLINYL DERIVATIVES UCB Biopharma SRL (BE) 2022-06-09 WO disclosed
WO-2021094209-A1 SUBSTITUTED PYRROLO TRIAZINE CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN EP3 RECEPTOR ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 WO disclosed
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
CN-105745214-B Tricyclic piperidine compounds 埃科特莱茵药品有限公司 2019-02-19 CN disclosed
US-10189839-B2 Tricyclic imidazole compounds as inhibitors of tryptophan hydroxylase ACTELION PHARMACEUTICALS LTD (CH) 2019-01-29 US disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
WO-2011109799-A1 NUCLEAR TRANSPORT MODULATIORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-09-09 WO disclosed
WO-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
EP-0648752-B1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-10-06 EP disclosed
US-5700824-A Triazole derivatives, insecticide, acaricide and methods thereof KUMIAI CHEMICAL INDUSTRIAL CO. LTD. (JP) 1997-12-23 US disclosed
US-5616594-A Triazole derivatives, insecticide, acaricide and methods thereof IHARA CHEMICAL INDUSTRY CO. LTD. (JP) 1997-04-01 US disclosed
US-5616601-A 1,2-aryl and heteroaryl substituted imidazolyl compounds for the treatment of inflammation GD SEARLE & CO (US) 1997-04-01 US disclosed
EP-0648752-A1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed
US-4853383-A β-blocking substituted imidazoles MERCK & CO., INC. (US) 1989-08-01 US disclosed
EP-0219143-A1 Synergistic herbicidal compositions and methods of use STAUFFER CHEMICAL COMPANY (US) 1987-04-22 EP disclosed
US-4642311-A β-adrenergic blocking imidazolylphenoxy propanolamines MERCK & CO., INC. (US) 1987-02-10 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-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 AR 3010/4885PDE5A 3230/4885MEN1 1501/4885
US-10189839-B2 Tricyclic imidazole compounds as inhibitors of tryptophan hydroxylase TPH1, TPH2, MAOB AR 1948/4885PDE5A 728/4885MEN1 1574/4885

“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.