SCHEMBL13490652

SCHEMBL13490652

Cc1ccc(C2CCCNC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
MAP3K12 Q12852 1/20 0.41
CHEK1 O14757 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41

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
SCHEMBL2636364 0.90 CCR1 (0.41)
SCHEMBL14842094 0.83 CCR1 (0.46)
SCHEMBL12093753 0.81 CCR1 (0.48)
SCHEMBL23331881 0.81 CCR1 (0.48)
SCHEMBL171626 0.81 CHEK1 (0.47) CHRM2CHRM3CHEK1CCNA2CDK2
SCHEMBL16565671 0.80 CHRM2 (0.42) CHRM2CHRM3CHEK1CCNA2CDK2
SCHEMBL13490602 0.80 HTR2A (0.43) CHRM2CHRM3
SCHEMBL103848 0.80 CCR1 (0.43)
SCHEMBL15122188 0.79 PDE10A (0.48)
SCHEMBL171385 0.77 CHRM2 (0.45) CHRM2CHRM3CHEK1CCNA2CDK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289835-A1 CDK INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2023-12-13 EP disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed
WO-2015032286-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2015-03-12 WO disclosed
WO-2013178591-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-12-05 WO disclosed
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 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-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them QDPR, HRH4, HRH2 CHRM2 629/4885CHRM3 461/4885MAP3K12 2071/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 CHRM2 578/4885CHRM3 428/4885MAP3K12 1962/4885

“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.