SCHEMBL4524778

SCHEMBL4524778

Cc1cc(Nc2nc(N3C[C@@H]4C(NC(=O)OC(C)(C)C)[C@@H]4C3)nc3ncccc23)[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CCR4 P51679 3/20 0.33
▸ PRKCQ Q04759 5/20 0.33
▸ PRKCD Q05655 4/20 0.33
▸ PRKCA P17252 4/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ PRKCH P24723 1/20 0.33
▸ PRKCE Q02156 1/20 0.33
▸ PRKD1 Q15139 1/20 0.33
▸ AURKA O14965 3/20 0.32
▸ AURKB Q96GD4 3/20 0.32
▸ BTK Q06187 2/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ PDPK1 O15530 2/20 0.32
▸ RET P07949 1/20 0.32
▸ KDR P35968 1/20 0.32

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
SCHEMBL4513370 0.89 ABCG2 (0.36) CCR4PRKCQPRKCDIGF1R
SCHEMBL4515212 0.85 CCR4 (0.35) CCR4PRKCQPRKCDPRKCAPRKCG
SCHEMBL4527109 0.83 POLB (0.38) CCR4
SCHEMBL4531067 0.82 PAK4 (0.37) CCR4PRKCQPRKCDPRKCAPRKCG
SCHEMBL4521519 0.81 CCR4 (0.36) CCR4PRKCQPRKCDPRKCAPRKCG
SCHEMBL4535745 0.79 ACACB (0.41) —
SCHEMBL4521530 0.78 CCR4 (0.36) CCR4PRKCQPRKCDPRKCAPRKCG
SCHEMBL4512389 0.77 AXL (0.36) CCR4IGF1R
SCHEMBL4529942 0.77 PAK4 (0.39) CCR4PRKCQPRKCDPRKCAIGF1R
SCHEMBL5314611 0.77 PAK4 (0.34) CCR4PRKCQPRKCDPRKCA

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 JAK2 1073/4885JAK1 2762/4885HRH3 973/4885

“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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