SCHEMBL246326

SCHEMBL246326

CCCCCc1nc2ncccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.53
PDE4A P27815 4/20 0.53
PDE4B Q07343 4/20 0.53
PDE4C Q08493 4/20 0.53
PDE4D Q08499 4/20 0.53
CYP2C9 P11712 1/20 0.53
NOS1 P29475 1/20 0.53
NOS2 P35228 1/20 0.53
PI4KA P42356 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
NUDT1 P36639 1/20 0.47
POLB P06746 1/20 0.47
HCAR2 Q8TDS4 4/20 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
SCHEMBL8326986 0.95 NOS1 (0.54) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL3960231 0.89 CYP2C9 (0.57) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL4719992 0.83 NUDT1 (0.53) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7197832 0.82 GPR84 (0.43) POLBHCAR2
SCHEMBL2314765 0.82 DDAH1 (0.55) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9597011 0.79 CYP2C9 (0.53) PDE5ACYP2C9NOS1NOS2NUDT1
SCHEMBL9570423 0.79 CYP2C9 (0.53) PDE5ACYP2C9NOS1NOS2NUDT1
SCHEMBL10952467 0.78 PI4KA (0.44) NOS1NOS2PI4KAPI4K2BPI4K2A
SCHEMBL7002580 0.78 NUDT1 (0.58) PDE5ACYP2C9NOS1NOS2NUDT1
SCHEMBL9705822 0.78 PARP1 (0.46) PDE5APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0072926-B1 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GmbH (DE) 1986-09-24 EP claimed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP claimed
EP-1986750-B1 Use of an extract of Enanthia Chloranta SEDERMA SA (FR) 2019-04-24 EP disclosed
US-8846019-B2 Use of protoberberines as an active substance regulating the pilosebaceous unit SEDERMA (FR) 2014-09-30 US disclosed
US-8591874-B2 Inhibition of mammalian hair growth THE PROCTER & GAMBLE COMPANY (US) 2013-11-26 US disclosed
US-8481015-B2 Applying agmatine and a dermatologically acceptable carrier to the skin; inhibiting hair growth THE PROCTER & GAMBLE COMPANY (US) 2013-07-09 US disclosed
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US disclosed
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
EP-2326622-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-01 EP disclosed
US-4873251-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANTIANXIETY AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-10-10 US disclosed
US-4824951-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANXIOLYTIC AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-04-25 US disclosed
US-4772600-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANXIOLYTIC A. H. ROBINS COMPANY, INC. (US) 1988-09-20 US disclosed
EP-0256402-A2 Pharmaceutical preparation MERCK PATENT GmbH (DE) 1988-02-24 EP disclosed
EP-0255217-A1 Fused imidazoheterocyclic compounds A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-02-03 EP disclosed
EP-0072926-B1 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GmbH (DE) 1986-09-24 EP disclosed
EP-0072926-B1 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GmbH (DE) 1986-09-24 EP disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP 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 (1 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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 PDE5A 2695/4885PDE4A 2248/4885PDE4B 2037/4885

“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.