SCHEMBL31664556

SCHEMBL31664556

CCc1nc2n(CC(=O)Nc3ccc(C(F)(F)F)cc3)c(C)nn2c(=O)c1Br

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PTGDR2 Q9Y5Y4 4/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ FPR1 P21462 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HTT P42858 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
SCHEMBL31713857 0.87 PTGDR2 (0.42) AKR1B1KDM4EMAPTPTGDR2TRPA1
SCHEMBL31678822 0.84 KDM4E (0.44) AKR1B1KDM4EMAPTPTGDR2TRPA1
SCHEMBL31677760 0.83 KDM4E (0.43) AKR1B1KDM4EMAPTPTGDR2TRPA1
SCHEMBL31664578 0.83 KDM4E (0.43) AKR1B1KDM4EMAPTPTGDR2TRPA1
SCHEMBL31664550 0.83 AKR1B1 (0.42) AKR1B1KDM4EMAPTTRPA1FPR1
SCHEMBL31664558 0.83 AKR1B1 (0.42) AKR1B1KDM4EMAPTTRPA1FPR1
SCHEMBL31664544 0.82 KDM4E (0.43) AKR1B1KDM4EMAPTTRPA1FPR1
SCHEMBL31653799 0.80 ALDH1A1 (0.45) AKR1B1KDM4EMAPTTRPA1LMNA
SCHEMBL31713851 0.78 PTGDR2 (0.42) AKR1B1KDM4EMAPTPTGDR2TRPA1
SCHEMBL31677892 0.77 KDM4E (0.43) AKR1B1KDM4EMAPTPTGDR2TRPA1

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-20250236622-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF WRN INCYTE CORPORATION (US) 2025-07-24 — — 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-20250236622-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF WRN WRN, BLM, RECQL AKR1B1 2734/4885KDM4E 3651/4885MAPT 4634/4885

“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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