SCHEMBL24312112

SCHEMBL24312112

CCNC(c1ccc(C#N)cc1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 7/20 0.46
▸ CTSS P25774 5/20 0.46
▸ CTSK P43235 5/20 0.46
▸ CTSB P07858 4/20 0.46
▸ CYP2A6 P11509 2/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ CYP19A1 P11511 3/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ JAK2 O60674 2/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GRIA1 P42261 1/20 0.35
▸ GRIA2 P42262 1/20 0.35
▸ GRIA3 P42263 1/20 0.35
▸ GRIA4 P48058 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ CTSG P08311 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
SCHEMBL22016226 0.79 CTSL (0.51) CTSLCTSSCTSKCTSBCYP2A6
SCHEMBL22031965 0.77 PDE2A (0.42) KIF11LMNAALDH1A1
SCHEMBL22035457 0.77 PRCP (0.43) LMNA
SCHEMBL16099126 0.77 CTSK (0.43) CTSLCTSSCTSKCTSBJAK2
SCHEMBL24312115 0.77 PRCP (0.43) LMNA
SCHEMBL26113884 0.77 CTSK (0.43) CTSLCTSSCTSKCTSBJAK2
SCHEMBL24312242 0.77 PDE2A (0.42) KIF11LMNAALDH1A1
SCHEMBL24437180 0.77 PRCP (0.43) LMNA
SCHEMBL22016791 0.77 CTSL (0.41) CTSLCTSSCTSKCTSBLMNA
SCHEMBL6703486 0.77 CTSL (0.41) CTSLCTSSCTSKCTSBLMNA

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-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 — — 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-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B CTSL 2199/4885CTSS 2419/4885CTSK 2305/4885

“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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