SCHEMBL4526026

SCHEMBL4526026

CCOC(=O)n1nc(C)cc1Nc1nc(N2C[C@@H]3C(NS(C)(=O)=O)[C@@H]3C2)nc2ncccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 6/20 0.35
▸ HCRTR1 O43613 5/20 0.35
▸ NPSR1 Q6W5P4 7/20 0.33
▸ KDM4E B2RXH2 5/20 0.33
▸ MAPT P10636 4/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ NR2F2 P24468 2/20 0.33
▸ ALDH1A1 P00352 5/20 0.32
▸ LMNA P02545 5/20 0.32
▸ MEN1 O00255 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ PPP1CA P62136 4/20 0.32
▸ ALOX15 P16050 4/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ HTT P42858 3/20 0.32
▸ TSHR P16473 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ GAA P10253 2/20 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
SCHEMBL5315372 0.91 HCRTR1 (0.37) HCRTR2HCRTR1NPSR1KDM4EMAPT
SCHEMBL4532654 0.91 HCRTR1 (0.37) HCRTR2HCRTR1NPSR1KDM4EMAPT
SCHEMBL4526388 0.88 HCRTR1 (0.34) HCRTR2HCRTR1NPSR1KDM4EMAPT
SCHEMBL4511494 0.88 HCRTR1 (0.34) HCRTR2HCRTR1NPSR1KDM4EMAPT
SCHEMBL4522897 0.87 HCRTR1 (0.34) HCRTR2HCRTR1NPSR1KDM4EMAPT
SCHEMBL4511499 0.83 HCRTR1 (0.33) HCRTR2HCRTR1NPSR1KDM4EMAPT
SCHEMBL5262877 0.81 HCRTR1 (0.32) HCRTR2HCRTR1MAPTGAAALPL
SCHEMBL5315816 0.77 CCR4 (0.32) HCRTR2HCRTR1KDM4EMAPTSMN1; SMN2
SCHEMBL4513370 0.69 ABCG2 (0.36) HCRTR2HCRTR1CCR4
SCHEMBL4512965 0.69 AXL (0.35) HCRTR2HCRTR1CCR4

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 HCRTR2 3735/4885HCRTR1 2823/4885NPSR1 2010/4885

“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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