SCHEMBL4524529

SCHEMBL4524529

Cc1cc(Nc2nc(N3C[C@H]4C[C@@H]3CN4S(C)(=O)=O)nc3ncccc23)[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 13/20 0.34
▸ TYK2 P29597 12/20 0.34
▸ JAK2 O60674 8/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34
▸ JAK1 P23458 7/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ GRM4 Q14833 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ INSR P06213 1/20 0.31
▸ NPM1 P06748 1/20 0.31
▸ ALK Q9UM73 1/20 0.31
▸ CCR4 P51679 2/20 0.31
▸ PIN1 Q13526 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
SCHEMBL4521409 0.85 BTK (0.39) JAK3TYK2JAK2JAK1CCR4
SCHEMBL4521856 0.82 PIN1 (0.40) JAK3TYK2JAK2JAK1PARP1
SCHEMBL4524170 0.82 AURKA (0.40) —
SCHEMBL4521438 0.82 IGF1R (0.40) JAK3TYK2JAK2JAK1GRM4
SCHEMBL4529458 0.79 CCR4 (0.37) CCR4
SCHEMBL4515702 0.77 PRKCQ (0.34) JAK3TYK2JAK2GRM4CCR4
SCHEMBL4533134 0.77 HSD17B10 (0.48) —
SCHEMBL4529942 0.76 PAK4 (0.39) CCR4
SCHEMBL5314611 0.76 PAK4 (0.34) CCR4
SCHEMBL4531067 0.76 PAK4 (0.37) CCR4

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-1831216-A2 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2007-09-12 — — EP claimed
WO-2006067614-A2 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2006-06-29 — — WO claimed
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS BHATTACHARYA SAMIT KUMAR 2009-11-12 — — US disclosed
EP-1831216-A2 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2007-09-12 — — EP disclosed
WO-2006067614-A2 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2006-06-29 — — 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-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, TP53, CCNE1 JAK3 2725/4885TYK2 3438/4885JAK2 1073/4885

“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.

Send feedback