SCHEMBL31339996

SCHEMBL31339996

Cc1cnc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 1/20 0.47
▸ MAPT P10636 1/20 0.45
▸ KIF11 P52732 1/20 0.44
▸ PTK2 Q05397 1/20 0.43
▸ CDK2 P24941 3/20 0.42
▸ CCNT1 O60563 2/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ CDK9 P50750 2/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CDK7 P50613 1/20 0.42
▸ CCNH P51946 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ CCNE2 O96020 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ TYK2 P29597 2/20 0.41
▸ JAK2 O60674 1/20 0.41

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
SCHEMBL31340004 0.85 PIN1 (0.46) MAPT
SCHEMBL31339981 0.83 ALDH1A1 (0.43) MAPT
SCHEMBL31339966 0.83 CTSC (0.44) CDK1TYK2JAK2JAK1JAK3
SCHEMBL31339943 0.79 TRPV1 (0.48) MAPT
SCHEMBL31339975 0.77 TRPV1 (0.53) MAPTJAK3
SCHEMBL31339974 0.74 GPBAR1 (0.48) MAPT
SCHEMBL31327409 0.70 POLB (0.53) MAPT
SCHEMBL13613546 0.70 ALOX5 (0.69) MAPT
SCHEMBL4562287 0.70 TYK2 (0.55) TYK2JAK2JAK1JAK3
SCHEMBL21163901 0.69 KMT2A (0.48) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260124202-A1 CD97 AND GSDME INTERACTION INHIBITOR HAVING ANTI-TUMOR ACTIVITY AND APPLICATION THEREOF JILIN UNIVERSITY (CN) 2026-05-07 — — US disclosed
EP-4725485-A1 CD97 AND GSDME INTERACTION INHIBITOR HAVING ANTI-TUMOR ACTIVITY AND APPLICATION THEREOF Jilin University (CN) 2026-04-15 — — EP disclosed
CN-119285557-A CD97 and GSDME interaction inhibitor with anti-tumor activity and application thereof 吉林大学 2025-01-10 — — 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-20260124202-A1 CD97 AND GSDME INTERACTION INHIBITOR HAVING ANTI-TUMOR ACTIVITY AND APPLICATION THEREOF GZMB, CD74, GSDMD CLK1 1623/4885MAPT 4802/4885KIF11 3537/4885

“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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