SCHEMBL31713755

SCHEMBL31713755

CCc1nc2n(CC(=O)Nc3ccc(C(F)(F)F)cc3)c(C3CC3)nn2c(=O)c1-c1ccccc1N

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.40
▸ MAPT P10636 4/20 0.38
▸ TP53 P04637 2/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TRPA1 O75762 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ORAI1 Q96D31 1/20 0.34
▸ FPR1 P21462 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ PTGS1 P23219 1/20 0.34

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
SCHEMBL31664550 0.88 AKR1B1 (0.42) AKR1B1MAPTTP53KDM4ETRPA1
SCHEMBL31664558 0.88 AKR1B1 (0.42) AKR1B1MAPTTP53KDM4ETRPA1
SCHEMBL31664538 0.87 MAPT (0.37) AKR1B1MAPTTP53PTGDR2KDM4E
SCHEMBL31713890 0.85 MAPT (0.39) AKR1B1MAPTTP53PTGDR2KDM4E
SCHEMBL31664566 0.84 MAPT (0.36) AKR1B1MAPTTP53PTGDR2KDM4E
SCHEMBL31713857 0.84 PTGDR2 (0.42) AKR1B1MAPTTP53PTGDR2KDM4E
SCHEMBL31664545 0.84 MAPT (0.36) AKR1B1MAPTTP53KDM4E
SCHEMBL31664553 0.83 EGFR (0.37) AKR1B1MAPTTP53PTGDR2KDM4E
SCHEMBL31678727 0.81 AKR1B1 (0.41) AKR1B1MAPTTP53KDM4ETRPA1
SCHEMBL31653720 0.81 ALDH1A1 (0.42) AKR1B1MAPTTP53KDM4ETRPA1

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 AKR1B1 2734/4885MAPT 4634/4885TP53 16/4885

“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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