SCHEMBL22017133

SCHEMBL22017133

CSc1c(C)c2cc(F)ccc2n(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
ATM Q13315 1/20 0.41
SRC P12931 1/20 0.40
MEN1 O00255 1/20 0.38
HCRTR1 O43613 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 8/20 0.38
ALDH1A1 P00352 7/20 0.38
PGR P06401 1/20 0.38
AR P10275 1/20 0.38
KAT2B Q92831 1/20 0.38
HPGD P15428 4/20 0.37
PRNP P04156 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GRM4 Q14833 1/20 0.36
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL21978883 0.78 ATM (0.43) HSP90AA1ATMSRCMEN1HCRTR1
SCHEMBL30901264 0.78 ATM (0.43) HSP90AA1ATMSRCMEN1HCRTR1
SCHEMBL22016488 0.76 ATM (0.41) HSP90AA1ATMSRCMEN1HCRTR1
SCHEMBL22035261 0.76 ATM (0.41) ATMSRCMEN1HCRTR1KMT2A
SCHEMBL31223914 0.75 ATM (0.43) HSP90AA1ATMSRCMEN1HCRTR1
SCHEMBL8140534 0.70 ATM (0.53) HSP90AA1ATMSRCMEN1HCRTR1
SCHEMBL10742909 0.69 ATM (0.46) HSP90AA1ATMSRCMEN1HCRTR1
SCHEMBL15564817 0.69 NQO2 (0.61) HSP90AA1ATMMEN1HCRTR1KMT2A
SCHEMBL24312068 0.69 PER2 (0.34) ATMKDM4EALDH1A1KAT2BHPGD
SCHEMBL4616719 0.69 KDM4E (0.50) ATMSRCMEN1HCRTR1KMT2A

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 HSP90AA1 1995/4885ATM 2237/4885SRC 2006/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 HSP90AA1 1995/4885ATM 2237/4885SRC 2006/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B HSP90AA1 2228/4885ATM 3576/4885SRC 611/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 HSP90AA1 1995/4885ATM 2237/4885SRC 2006/4885

“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.