SCHEMBL4521409

SCHEMBL4521409

CC(=O)N1C[C@@H]2C[C@@H]1CN2c1nc(Nc2cc(C)n[nH]2)c2cccnc2n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ PIN1 Q13526 1/20 0.38
▸ MAP3K12 Q12852 3/20 0.38
▸ LTA4H P09960 8/20 0.37
▸ SLC6A7 Q99884 1/20 0.36
▸ CCR4 P51679 3/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ ABCG2 Q9UNQ0 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
SCHEMBL4521856 0.90 PIN1 (0.40) BTKJAK3PIN1MAP3K12LTA4H
SCHEMBL4524529 0.85 JAK3 (0.34) JAK3PIN1CCR4JAK2JAK1
SCHEMBL4521438 0.81 IGF1R (0.40) JAK3MAP3K12JAK2JAK1TYK2
SCHEMBL4513370 0.80 ABCG2 (0.36) LTA4HCCR4ABCG2
SCHEMBL4521519 0.79 CCR4 (0.36) CCR4ABCG2
SCHEMBL4515702 0.77 PRKCQ (0.34) JAK3CCR4JAK2TYK2ABCG2
SCHEMBL4515212 0.76 CCR4 (0.35) CCR4
SCHEMBL4535405 0.76 AURKA (0.37) BTKJAK3PIN1
SCHEMBL4529942 0.76 PAK4 (0.39) CCR4
SCHEMBL5314611 0.76 PAK4 (0.34) CCR4ABCG2

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 BTK 3369/4885JAK3 2725/4885PIN1 1927/4885

“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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