SCHEMBL31713938

SCHEMBL31713938

CCc1cc(=O)n2nc(C3CC3)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ PTGDR2 Q9Y5Y4 2/20 0.40
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ AKR1B1 P15121 1/20 0.37
▸ ORAI1 Q96D31 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 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
SCHEMBL31664544 0.87 KDM4E (0.43) KDM4EMAPTTP53RXFP1LMNA
SCHEMBL31713855 0.83 KDM4E (0.40) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL31713857 0.82 PTGDR2 (0.42) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL25037269 0.78 KDM4E (0.43) KDM4EMAPTSMN1; SMN2TP53RXFP1
SCHEMBL31713755 0.77 AKR1B1 (0.40) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL31664555 0.77 KDM4E (0.43) KDM4EMAPTTP53LMNAAKR1B1
SCHEMBL31713877 0.76 KDM4E (0.44) KDM4EMAPTSMN1; SMN2TP53LMNA
SCHEMBL31653952 0.76 KDM4E (0.44) KDM4EMAPTSMN1; SMN2TP53LMNA
SCHEMBL31713851 0.74 PTGDR2 (0.42) KDM4EMAPTSMN1; SMN2TP53RXFP1
SCHEMBL31664538 0.74 MAPT (0.37) KDM4ENPC1RAB9AMAPTSMN1; SMN2

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 3651/4885NPC1 2252/4885RAB9A 2471/4885

“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