SCHEMBL4076072

SCHEMBL4076072

CS(=O)(=O)c1ncc(Br)c(NC2CCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 1/20 0.47
▸ TYK2 P29597 1/20 0.47
▸ AURKA O14965 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ SYK P43405 2/20 0.38
▸ HPGDS O60760 1/20 0.38
▸ PTGS1 P23219 3/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ PTGS2 P35354 5/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CCNE2 O96020 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCND3 P30281 1/20 0.36
▸ CDK6 Q00534 1/20 0.36
▸ EGFR P00533 1/20 0.35

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
SCHEMBL13812810 0.83 SYK (0.38) SYKHPGDSPTGS1KMT2AJAK2
SCHEMBL4068064 0.80 PTGS2 (0.38) JAK1TYK2JAK2PTGS2
SCHEMBL2385046 0.78 SYK (0.60) SYK
SCHEMBL3112983 0.77 GABBR2 (0.52) JAK1TYK2AURKAAURKBHPGDS
SCHEMBL13734522 0.77 LRRK2 (0.40) SYKJAK2LRRK2
SCHEMBL28724249 0.77 ALDH1A1 (0.40) JAK1TYK2CDK7CDK9CDK4
SCHEMBL17024302 0.76 TTK (0.46) SYKPTGS1PTGS2CDK4CCND1
SCHEMBL30132220 0.76 TTK (0.46) SYKPTGS1PTGS2CDK4CCND1
SCHEMBL15514852 0.75 TTK (0.46) SYKPTGS1PTGS2CDK4CCND1
SCHEMBL9880040 0.74 GABBR2 (0.49) JAK1TYK2AURKAAURKBSYK

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 JAK1 109/4885TYK2 417/4885AURKA 69/4885

“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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