SCHEMBL4068064

SCHEMBL4068064

CS(=O)(=O)c1ncc(Br)c(NCC2CCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.38
▸ JAK1 P23458 4/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ TNK2 Q07912 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ALDH3A1 P30838 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ JAK2 O60674 3/20 0.35
▸ LDHA P00338 1/20 0.35
▸ LDHB P07195 1/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ APP P05067 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ASPH Q12797 1/20 0.34
▸ RIOX2 Q8IUF8 1/20 0.34
▸ KDM8 Q8N371 1/20 0.34
▸ GRM4 Q14833 1/20 0.34

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
SCHEMBL4076072 0.80 JAK1 (0.47) PTGS2JAK1TYK2JAK2
SCHEMBL4071077 0.76 KMT2A (0.42) JAK1TNK2JAK2LDHALDHB
SCHEMBL4076223 0.76 PPARG (0.43) JAK1TNK2JAK2LDHALDHB
SCHEMBL13649042 0.75 KMT2A (0.44) JAK1TNK2JAK2APPKDM4E
SCHEMBL28724249 0.74 ALDH1A1 (0.40) JAK1TYK2ALDH1A1CA2KDM4E
SCHEMBL4068764 0.71 CA2 (0.64) TYK2TNK2CA2IGF1R
SCHEMBL23785352 0.71 MERTK (0.53) —
SCHEMBL1937339 0.70 PTGER4 (0.44) TNK2ALDH1A1IGF1R
SCHEMBL4068068 0.68 MEN1 (0.35) JAK1JAK2JAK3GBA1
SCHEMBL10582722 0.66 TP53 (0.41) ALDH1A1CA2HSD17B10

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 PTGS2 1757/4885JAK1 109/4885TYK2 417/4885

“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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