SCHEMBL22017183

SCHEMBL22017183

Cn1c(=O)c(I)c(C(F)(F)F)c2ccncc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.37
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 1/20 0.35
KDM5A P29375 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
GABRA5 P31644 1/20 0.34
NFATC1 O95644 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
ROCK2 O75116 4/20 0.33
MAPK14 Q16539 1/20 0.33
SCN9A Q15858 1/20 0.32
TIPARP Q7Z3E1 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
HASPIN Q8TF76 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
SCHEMBL21957400 0.79 KIF11 (0.44) MAPK14
SCHEMBL30901248 0.79 KIF11 (0.44) MAPK14
SCHEMBL21977663 0.72 ATM (0.40) MAPK14
SCHEMBL21979262 0.71 PGR (0.36) GSK3BDYRK1AMAPK14
SCHEMBL22016560 0.69 AR (0.40)
SCHEMBL13819107 0.68 ADORA3 (0.53) AAK1ADORA3ADORA2AADORA1KDM5A
SCHEMBL1609661 0.68 ADORA3 (0.54) ADORA3ADORA2ANFATC1GSK3BDYRK1A
SCHEMBL22017182 0.68 PARP1 (0.50) KDM5AKDM4CGABRA5
SCHEMBL22016239 0.66 ADORA3 (0.43) AAK1ADORA3ADORA2AADORA1KDM5A
SCHEMBL24312103 0.65 HASPIN (0.44) GABRA5HASPIN

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 AAK1 3444/4885ADORA3 1752/4885ADORA2A 1362/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 AAK1 3444/4885ADORA3 1752/4885ADORA2A 1362/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B AAK1 2947/4885ADORA3 1388/4885ADORA2A 2215/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 AAK1 3444/4885ADORA3 1752/4885ADORA2A 1362/4885

“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.