SCHEMBL34461731

SCHEMBL34461731

Nc1ccccc1-c1nnc2n(CC(=O)Nc3ccc(C(F)(F)F)cc3)c3cc[nH]c3c(=O)n12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ PTGS1 P23219 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ TP53 P04637 3/20 0.35
▸ BCHE P06276 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ FPR1 P21462 1/20 0.35
▸ FPR2 P25090 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
SCHEMBL34461736 0.87 MEN1 (0.40) KDM4EAKR1B1ADORA2ATRPA1MAPT
SCHEMBL34461704 0.86 TGM2 (0.38) KDM4EAKR1B1ADORA2ATRPA1MAPT
SCHEMBL34461762 0.83 TRPA1 (0.45) KDM4EAKR1B1PTGS1TRPA1MAPT
SCHEMBL34461758 0.71 TRPA1 (0.45) KDM4EAKR1B1PTGS1TRPA1MAPT
SCHEMBL31653720 0.71 ALDH1A1 (0.42) KDM4EAKR1B1PTGS1TRPA1MAPT
SCHEMBL34461735 0.71 TRPA1 (0.42) KDM4EAKR1B1TRPA1MAPTPOLB
SCHEMBL31678727 0.69 AKR1B1 (0.41) KDM4EAKR1B1PTGS1TRPA1MAPT
SCHEMBL31677815 0.69 KDM4E (0.40) KDM4EAKR1B1PTGS1TRPA1MAPT
SCHEMBL31678803 0.69 MAPT (0.39) KDM4EAKR1B1PTGS1TRPA1MAPT
SCHEMBL34461745 0.68 ADORA2A (0.41) ADORA2AMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260098041-A1 FUSED BICYCLIC PYRIMIDONES AS WRN INHIBITORS INCYTE CORPORATION (US) 2026-04-09 — — US 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-20260098041-A1 FUSED BICYCLIC PYRIMIDONES AS WRN INHIBITORS WRN, POLR1A, REV1 KDM4E 4779/4885AKR1B1 168/4885PTGS1 1987/4885

“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