SCHEMBL24312430

SCHEMBL24312430

CC(C)(C)n1c(=O)[nH]c2cncnc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
APAF1 O14727 1/20 0.33
CASP6 P55212 1/20 0.33
MEN1 O00255 1/20 0.31
PABPC1 P11940 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL25823793 0.81 TNKS (0.36) LMNAMAPTMEN1PABPC1KMT2A
SCHEMBL24312097 0.75 ADORA3 (0.47) LMNAMAPT
SCHEMBL22017504 0.75 GRM4 (0.40) LMNAMAPTAPAF1CASP6
SCHEMBL22017501 0.73 POLB (0.33) APAF1CASP6
SCHEMBL22017505 0.72 ADORA3 (0.50)
SCHEMBL22017499 0.69 LMNA (0.39) LMNAMAPTAPAF1CASP6
SCHEMBL16657358 0.69 DAO (0.47)
SCHEMBL24312321 0.69 HPD (0.33) MAPT
SCHEMBL22017503 0.69 FEN1 (0.60) LMNAMAPT
SCHEMBL21676739 0.68 ALOX5 (0.39) LMNAAPAF1CASP6MEN1PABPC1

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 LMNA 2991/4885MAPT 2929/4885APAF1 3414/4885

“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.