SCHEMBL22016880

SCHEMBL22016880

CCc1cc(C(F)(F)F)cn(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 2/20 0.35
BRD4 O60885 3/20 0.35
LMNA P02545 1/20 0.34
XPO1 O14980 1/20 0.34
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
CREBBP Q92793 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
CBL P22681 1/20 0.33
CBLB Q13191 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
CRHR1 P34998 1/20 0.32
RORA P35398 1/20 0.32
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 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
SCHEMBL23351070 0.83 HTR1D (0.34) BRD9BRD4CREBBPRORARORC
SCHEMBL15616926 0.79 BRD4 (0.47) BRD9BRD4XPO1CREBBPMALT1
SCHEMBL27306031 0.77 BRD9 (0.37) BRD9BRD4XPO1CREBBPMALT1
SCHEMBL22642830 0.77 BRD9 (0.37) BRD9BRD4LMNAXPO1MALT1
SCHEMBL26013332 0.76 ALDH1A1 (0.39) LMNAKMT2AGAAADORA2A
SCHEMBL942334 0.76 BRD9 (0.36) BRD9BRD4XPO1MALT1CBL
SCHEMBL19002423 0.76 KMT2A (0.43) BRD9LMNAKMT2AGAAMALT1
SCHEMBL15574103 0.76 AURKA (0.45) BRD9BRD4XPO1MALT1CBL
SCHEMBL27303857 0.76 BRD9 (0.36) BRD9BRD4LMNAXPO1MALT1
SCHEMBL9339312 0.75 GABRB3 (0.31) XPO1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2023-08-24 US disclosed
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 (5 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 BRD9 1465/4885BRD4 288/4885LMNA 2900/4885
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B BRD9 165/4885BRD4 53/4885LMNA 4393/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 BRD9 1465/4885BRD4 288/4885LMNA 2900/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B BRD9 1160/4885BRD4 507/4885LMNA 2991/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 BRD9 1465/4885BRD4 288/4885LMNA 2900/4885

“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.