SCHEMBL4397083

SCHEMBL4397083

C=CCc1ccnc2ncncc12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL23169488 0.77 PDE5A (0.36)
SCHEMBL9276577 0.77 GABRA1 (0.39) GABRA1GABRB2ALDH1A1
SCHEMBL8217608 0.71 IMPDH2 (0.34) IMPDH2
SCHEMBL7212101 0.68 LOXL2 (0.58) ALDH1A1
SCHEMBL10077940 0.67 CCR1 (0.45)
SCHEMBL3433362 0.67 DYRK1A (0.33)
SCHEMBL2395120 0.67
SCHEMBL13731612 0.66 IMPDH2 (0.43) IMPDH2GABRA1GABRB2ALDH1A1
SCHEMBL5666181 0.64 TNF (0.45) IMPDH2GABRA1GABRB2ALDH1A1
SCHEMBL24352035 0.63 PDE5A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP disclosed
US-20060142312-A1 C6-aryl and heteroaryl substituted pyrido[2,3-D] pyrimidin-7-ones PFIZER INC 2006-06-29 US disclosed
EP-1590341-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2005-11-02 EP disclosed
US-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders PFIZER INC 2004-11-25 US disclosed
WO-2004065378-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO 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-20060142312-A1 C6-aryl and heteroaryl substituted pyrido[2,3-D] pyrimidin-7-ones CDK4, CDK2, CCNA1 IMPDH2 2092/4885GABRA1 4475/4885GABRB2 4603/4885
US-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders CDK4, CCNA1, CCNI IMPDH2 1596/4885GABRA1 4501/4885GABRB2 4760/4885

“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.