SCHEMBL4512389

SCHEMBL4512389

COCC(=O)NCC1CN(c2nc(Nc3cc(C)n[nH]3)c3cccnc3n2)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 8/20 0.36
▸ CCR4 P51679 3/20 0.35
▸ PANK1 Q8TE04 1/20 0.34
▸ PANK3 Q9H999 1/20 0.34
▸ APP P05067 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ BUB1 O43683 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 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
SCHEMBL4512965 0.88 AXL (0.35) AXLCCR4APPIGF1RHCRTR1
SCHEMBL4521530 0.83 CCR4 (0.36) CCR4
SCHEMBL4521519 0.81 CCR4 (0.36) CCR4APPIGF1RHCRTR1HCRTR2
SCHEMBL4513370 0.81 ABCG2 (0.36) CCR4APPIGF1RHCRTR1HCRTR2
SCHEMBL4521856 0.79 PIN1 (0.40) CCR4APPIGF1RHCRTR1HCRTR2
SCHEMBL4531067 0.78 PAK4 (0.37) CCR4
SCHEMBL4512984 0.78 HSD17B10 (0.49) ALDH1A1HPGDTSHRHSD17B10
SCHEMBL4524778 0.77 JAK2 (0.34) CCR4IGF1R
SCHEMBL5314611 0.77 PAK4 (0.34) CCR4
SCHEMBL4529942 0.77 PAK4 (0.39) CCR4KDM4ETSHRHSD17B10LMNA

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 AXL 4168/4885CCR4 2557/4885PANK1 4151/4885

“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