SCHEMBL4529942

SCHEMBL4529942

Cc1cc(Nc2nc(N3CCC3)nc3ncccc23)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 3/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ CCR4 P51679 3/20 0.38
▸ PAK1 Q13153 2/20 0.37
▸ SRC P12931 1/20 0.37
▸ HTR2A P28223 4/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ PRKCA P17252 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ PRKCD Q05655 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ IGF1R P08069 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 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
SCHEMBL5314611 0.89 PAK4 (0.34) PAK4PLK4CCR4PAK1SRC
SCHEMBL4531067 0.85 PAK4 (0.37) PAK4CCR4PAK1PRKCAPRKCQ
SCHEMBL4521530 0.84 CCR4 (0.36) PAK4CCR4PAK1PRKCAPRKCQ
SCHEMBL4511804 0.83 ALDH1A1 (0.44) PAK4PLK4CCR4SRCHTR2A
SCHEMBL4521519 0.82 CCR4 (0.36) PAK4CCR4PAK1PRKCAPRKCQ
SCHEMBL4513370 0.81 ABCG2 (0.36) CCR4PRKCQPRKCDIGF1R
SCHEMBL4533134 0.81 HSD17B10 (0.48) KMT2AHSD17B10KDM4EGAAALOX15
SCHEMBL4526646 0.81 HSD17B10 (0.44) CCR4KMT2AHSD17B10TSHR
SCHEMBL4528939 0.80 ABCG2 (0.40) PAK4PLK4IGF1R
SCHEMBL786228 0.80 KDM4E (0.57) PAK4PAK1HTR2AMAPTKMT2A

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 PAK4 3321/4885PLK4 999/4885CCR4 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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