SCHEMBL31713877

SCHEMBL31713877

CCc1cc(=O)n2nc(Br)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.44
▸ MAPT P10636 3/20 0.40
▸ AKR1B1 P15121 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ FPR1 P21462 1/20 0.38
▸ FPR2 P25090 1/20 0.38
▸ HIF1A Q16665 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37

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
SCHEMBL31664555 0.89 KDM4E (0.43) KDM4EMAPTAKR1B1TP53LMNA
SCHEMBL25035250 0.86 ACHE (0.44) KDM4EMAPTAKR1B1TP53LMNA
SCHEMBL30037179 0.86 ACHE (0.44) KDM4EMAPTAKR1B1TP53LMNA
SCHEMBL31713855 0.86 KDM4E (0.40) KDM4EMAPTAKR1B1TP53LMNA
SCHEMBL25037269 0.83 KDM4E (0.43) KDM4EMAPTAKR1B1TP53LMNA
SCHEMBL31664544 0.80 KDM4E (0.43) KDM4EMAPTAKR1B1TP53LMNA
SCHEMBL30984328 0.80 THRB (0.41) MAPTTP53LMNAMEN1KMT2A
SCHEMBL31713883 0.80 WRN (0.49) KDM4EMAPTAKR1B1TP53LMNA
SCHEMBL30984261 0.80 THRB (0.35) KDM4EMAPTTP53LMNAMEN1
SCHEMBL30984155 0.79 THRB (0.40) MAPTAKR1B1TP53LMNAMEN1

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-20250333419-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF WRN INCYTE CORPORATION (US) 2025-10-30 — — 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-20250333419-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF WRN WRN, BLM, RECQL KDM4E 3651/4885MAPT 4634/4885AKR1B1 2734/4885

“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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