SCHEMBL24934385

SCHEMBL24934385

CSC1=N[C@@H](C)Cn2nc(C(F)(F)F)cc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS1 P23219 4/20 0.32
PTGS2 P35354 4/20 0.32

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
Iodide SCHEMBL29981811 0.99 KDM4E (0.32) KDM4EALDH1A1HPGDSMN1; SMN2PTGS1
SCHEMBL24860256 0.79 PTGS1 (0.32) KDM4EALDH1A1PTGS1PTGS2
SCHEMBL24934670 0.67 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL24934671 0.67 PIK3C3 (0.42) PTGS1PTGS2
SCHEMBL21887773 0.62 PTGS2 (0.34) PTGS1PTGS2
SCHEMBL24934387 0.59 PDK1 (0.41)
SCHEMBL24934563 0.59 PDK2 (0.46)
SCHEMBL16487838 0.59 PTGS1 (0.51) KDM4EALDH1A1PTGS1PTGS2
SCHEMBL3132967 0.59 PTGS2 (0.40) KDM4EALDH1A1HPGDSMN1; SMN2PTGS1
SCHEMBL758276 0.57 RAB9A (0.37) KDM4EALDH1A1HPGDSMN1; SMN2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151543-B Fused tricyclic compounds and medical uses thereof 日本烟草产业株式会社 2024-12-17 CN disclosed
US-20230025880-A1 FUSED TRICYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-01-26 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-20230025880-A1 FUSED TRICYCLIC COMPOUND AND MEDICINAL USE THEREOF PC, PCK2, AGK KDM4E 4747/4885ALDH1A1 907/4885HPGD 635/4885

“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.