SCHEMBL4565097

SCHEMBL4565097

CCCCCNc1ccn[nH]1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 9/20 0.44
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PKM P14618 1/20 0.40
KCNH3 Q9ULD8 2/20 0.39
MMP3 P08254 1/20 0.39
UTS2R Q9UKP6 2/20 0.38
ABL1 P00519 1/20 0.38
TLR8 Q9NR97 1/20 0.37
CTSK P43235 1/20 0.36

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
SCHEMBL27669529 0.94 CYP3A4 (0.41) GPR84CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL9311177 0.82 CYP1A2 (0.38) GPR84CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL9601311 0.79 SOD1 (0.37) PKM
SCHEMBL9601315 0.79 USP2 (0.42) PKM
SCHEMBL13180379 0.78
SCHEMBL8138860 0.76 UTS2R (0.43) GPR84UTS2R
SCHEMBL27565006 0.76 EPHX1 (0.52) PKM
SCHEMBL22957169 0.75
SCHEMBL22074334 0.74 PKM (0.36) CYP3A4CYP2C9PKMKCNH3
SCHEMBL13045345 0.69 ESR1 (0.40) CYP3A4CYP2C9PKMCTSK

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
US-4799951-A 5-acylamino-pyrazole derivatives, composition containing them and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1989-01-24 US claimed
EP-0173821-B1 SUBSTITUTED 5-AMINO-1-PHENYL PYRAZOLES BAYER AG (DE) 1989-01-18 EP claimed
US-4772309-A 5-acylamino-pyrazoles, composition containing them, and herbicidal and plant growth regulating method of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-09-20 US claimed
US-4772310-A 5-acylamino-pyrazole derivatives, composition containing them, and their use as herbicides and plant growth BAYER AKTIENGESELLSCHAFT (DE) 1988-09-20 US claimed
EP-0248315-A2 5-Acylamino pyrazole derivatives BAYER AG (DE) 1987-12-09 EP claimed
EP-0190457-A1 Derivatives of 3-methyl-imidazo [4,5-c]pyrazole having therapeutic activity and a process for the preparation theref CAMILLO CORVI S.p.A. (IT) 1986-08-13 EP claimed
EP-0173821-A1 Substituted 5-amino-1-phenyl pyrazoles BAYER AG (DE) 1986-03-12 EP claimed
CN-103930109-B The substituted heterocyclyl amides of N- NOVARTIS AG (CH) 2016-11-30 CN disclosed
US-7514561-B2 Pesticidal 5-(acylamino) pyrazole derivatives MERIAL LIMITED (US) 2009-04-07 US disclosed
CN-1944413-A Pesticidal 5- (acylamino) pyrazole derivatives BAYER CROPSCIENCE SA (FR) 2007-04-11 CN disclosed
US-20060135778-A1 Pesticidal 5-(acylamino) pyrazole derivatives BAYER CROPSCIENCE S.A. (FR) 2006-06-22 US disclosed
CN-1719974-A Pesticidal 5- (acylamino) pyrazole derivatives BAYER CROPSCIENCE SA (FR) 2006-01-11 CN disclosed
US-4931461-A Pesticidal substituted 5-methylamino-1-arylpyrazoles BAYER AKTIENGESELLSCHAFT (DE) 1990-06-05 US disclosed
EP-0248315-A2 5-Acylamino pyrazole derivatives BAYER AG (DE) 1987-12-09 EP disclosed
EP-0242573-A1 5-Acylamino-pyrazole derivatives BAYER AG (DE) 1987-10-28 EP disclosed
EP-0224019-A2 1-Aryl-4-nitropyrazole BAYER AG (DE) 1987-06-03 EP disclosed
EP-0190457-A1 Derivatives of 3-methyl-imidazo [4,5-c]pyrazole having therapeutic activity and a process for the preparation theref CAMILLO CORVI S.p.A. (IT) 1986-08-13 EP disclosed
EP-0173821-A1 Substituted 5-amino-1-phenyl pyrazoles BAYER AG (DE) 1986-03-12 EP disclosed
EP-0068806-A2 Basic acyl amides of (5-amino-1,3-dialkylpyrazol-4-yl)(aryl)methanones, processes for their production, and pharmaceutical compositions containing such compounds WARNER-LAMBERT COMPANY (US) 1983-01-05 EP disclosed
US-3948878-A FIBERS OF ACRYLONITRILE POLYMERS, POLYESTERS OR POLYAMIDES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-04-06 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 (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-20060135778-A1 Pesticidal 5-(acylamino) pyrazole derivatives AADAC, ACHE, AAAS GPR84 4284/4885CYP1A2 77/4885CYP3A4 105/4885

“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.