SCHEMBL24934671

SCHEMBL24934671

C[C@H]1Cn2nc(C(F)(F)F)cc2C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.42
PTGS2 P35354 5/20 0.33
PTGS1 P23219 3/20 0.33
ALOX5 P09917 1/20 0.33
PLAT P00750 1/20 0.33
ESR1 P03372 1/20 0.32
POLB P06746 1/20 0.32
PDE4B Q07343 2/20 0.32
PDE3A Q14432 2/20 0.32
KDM5B Q9UGL1 1/20 0.32
NR3C2 P08235 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
AR P10275 1/20 0.31
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30

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
SCHEMBL24934670 0.82 PTGS1 (0.31) PIK3C3PTGS2PTGS1
SCHEMBL29544566 0.77 PIK3C3 (0.37) PIK3C3ALOX5
SCHEMBL24860256 0.69 PTGS1 (0.32) PTGS2PTGS1NPC1RAB9AHDAC3
SCHEMBL3123945 0.69 CDC7 (0.44) PTGS2PTGS1ALOX5PLATNR3C2
SCHEMBL17801738 0.67 ALOX5 (0.35) PIK3C3ALOX5NPC1RAB9A
SCHEMBL24934385 0.67 KDM4E (0.33) PTGS2PTGS1
Iodide SCHEMBL29981811 0.66 KDM4E (0.32) PTGS2PTGS1
SCHEMBL21887773 0.63 PTGS2 (0.34) PTGS2PTGS1PDE4BPDE3AHDAC3
SCHEMBL31409374 0.61 PLAT (0.34) PLATGAA
SCHEMBL24730818 0.60 MAPKAPK2 (0.34) ALOX5

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 4 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
US-20230025880-A1 FUSED TRICYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-01-26 US disclosed
CN-115151543-A Fused tricyclic compounds and medical use thereof 日本烟草产业株式会社 2022-10-04 CN 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 PIK3C3 1876/4885PTGS2 789/4885PTGS1 597/4885

“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.