SCHEMBL13490489

SCHEMBL13490489

CN(C)c1nc(C2CCCNC2)ccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 6/20 0.48
▸ CCNA2 P20248 4/20 0.48
▸ CDK2 P24941 4/20 0.48
▸ CCNA1 P78396 4/20 0.48
▸ PRMT5 O14744 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ HPGDS O60760 1/20 0.40
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNB4 P30926 2/20 0.38
▸ CHRNA3 P32297 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ IKBKB O14920 1/20 0.37
▸ CHUK O15111 1/20 0.37

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
SCHEMBL171390 0.81 CHEK1 (0.57) CHEK1CCNA2CDK2CCNA1PRMT5
SCHEMBL13490570 0.70 HPGDS (0.54) CHEK1CCNA2CDK2CCNA1PRMT5
SCHEMBL13490495 0.69 DRD2 (0.47) CHEK1CCNA2CDK2CCNA1PRMT5
SCHEMBL171615 0.68 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1HTR2A
SCHEMBL171375 0.68 DRD2 (0.44) CHEK1CCNA2CDK2CCNA1CHRM2
SCHEMBL16565671 0.68 CHRM2 (0.42) CHEK1CCNA2CDK2CCNA1CHRM2
SCHEMBL171361 0.68 IKBKB (0.46) CHEK1CCNA2CDK2CCNA1IKBKB
SCHEMBL3399446 0.67 KCNH2 (0.55) HTR2AHTR2CKCNH2HPGDS
SCHEMBL29290676 0.67 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1HTR2A
SCHEMBL381572 0.66 SLC18A3 (0.59) HTR2AHTR2CKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 — — US disclosed
US-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 — — US disclosed
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 — — US 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 CHEK1 3246/4885CCNA2 4097/4885CDK2 1783/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 CHEK1 3330/4885CCNA2 3897/4885CDK2 1598/4885

“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.

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