SCHEMBL4515702

SCHEMBL4515702

CCCC1CN1c1nc(Nc2cc(C)n[nH]2)c2cccnc2n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 5/20 0.34
▸ PRKCD Q05655 5/20 0.34
▸ CCR4 P51679 3/20 0.33
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ ABCG2 Q9UNQ0 2/20 0.31
▸ GRM4 Q14833 3/20 0.31
▸ APP P05067 1/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 1/20 0.30

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
SCHEMBL4521530 0.81 CCR4 (0.36) PRKCQPRKCDCCR4GRM4
SCHEMBL4521438 0.80 IGF1R (0.40) PRKCQPRKCDGRM4HCRTR1HCRTR2
SCHEMBL4529942 0.80 PAK4 (0.39) PRKCQPRKCDCCR4
SCHEMBL5314611 0.80 PAK4 (0.34) PRKCQPRKCDCCR4ABCG2
SCHEMBL4531067 0.80 PAK4 (0.37) PRKCQPRKCDCCR4
SCHEMBL4521519 0.77 CCR4 (0.36) PRKCQPRKCDCCR4ABCG2GRM4
SCHEMBL4524529 0.77 JAK3 (0.34) CCR4GRM4JAK2TYK2JAK3
SCHEMBL4513370 0.77 ABCG2 (0.36) PRKCQPRKCDCCR4ABCG2APP
SCHEMBL4521409 0.77 BTK (0.39) CCR4ABCG2JAK2TYK2JAK3
SCHEMBL4521856 0.76 PIN1 (0.40) CCR4APPHCRTR1HCRTR2JAK2

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 PRKCQ 3941/4885PRKCD 3767/4885CCR4 2557/4885

“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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