SCHEMBL22016208

SCHEMBL22016208

Cc1cn(C)c(=O)c(C(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
BRD4 O60885 6/20 0.33
KDM5A P29375 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
SYK P43405 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KMT2A Q03164 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL15934909 0.78 ALDH1A1 (0.37) BRD4TDP1
SCHEMBL20614414 0.74 ALDH1A1 (0.38) CHRNB2CHRNA4BRD4KMT2A
SCHEMBL21977750 0.71 BRD4 (0.38) BRD4
SCHEMBL12414157 0.70 CHRNB2 (0.39) CHRNB2CHRNA4
SCHEMBL18073640 0.68 BRD4 (0.35) BRD4KDM5AKDM5BKMT2ARXFP1
SCHEMBL14981455 0.68 BRD9 (0.42) CHRNB2CHRNA4BRD4TDP1KMT2A
SCHEMBL22017084 0.67 KMT2A (0.35) KDM5BKMT2ARXFP1
SCHEMBL23152952 0.64 KMT2A (0.33) KMT2ARXFP1
SCHEMBL486467 0.63
SCHEMBL13178899 0.63 CHRNB2 (0.37) CHRNB2CHRNA4

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
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 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 (4 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-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 CHRNB2 2850/4885CHRNA4 2497/4885BRD4 288/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 CHRNB2 2850/4885CHRNA4 2497/4885BRD4 288/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B CHRNB2 203/4885CHRNA4 83/4885BRD4 507/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 CHRNB2 2850/4885CHRNA4 2497/4885BRD4 288/4885

“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.