SCHEMBL4076223

SCHEMBL4076223

CSc1ncc(Br)c(NCC2CCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.43
▸ TNK2 Q07912 7/20 0.38
▸ JAK2 O60674 4/20 0.36
▸ JAK1 P23458 4/20 0.36
▸ JAK3 P52333 3/20 0.36
▸ APP P05067 1/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ GRM4 Q14833 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ LDHA P00338 1/20 0.34
▸ LDHB P07195 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ HIF1A Q16665 1/20 0.33

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
SCHEMBL25272086 0.85 PPARG (0.37) PPARGJAK2JAK1APPGBA1
SCHEMBL22860417 0.80 HTT (0.47) PPARGJAK2JAK1JAK3APP
SCHEMBL22860416 0.80 PPARG (0.46) PPARGJAK2JAK1JAK3APP
SCHEMBL24271449 0.79 AKT1 (0.34) PPARG
SCHEMBL29503634 0.79 AKT1 (0.34) PPARG
SCHEMBL29991645 0.78 KMT2A (0.50) JAK2JAK1JAK3IGF1R
SCHEMBL4065318 0.78 KMT2A (0.50) JAK2JAK1JAK3IGF1R
SCHEMBL4071077 0.78 KMT2A (0.42) TNK2JAK2JAK1APPGBA1
SCHEMBL13649042 0.77 KMT2A (0.44) TNK2JAK2JAK1APPGBA1
SCHEMBL4068064 0.76 PTGS2 (0.38) TNK2JAK2JAK1JAK3APP

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 4 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
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 (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-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 PPARG 1256/4885TNK2 115/4885JAK2 127/4885

“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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