SCHEMBL22016872

SCHEMBL22016872

CC(C)c1ncc2ccccc2c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
GPR3 P46089 1/20 0.39
TRPM8 Q7Z2W7 6/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
TLR7 Q9NYK1 3/20 0.35
CAPN1 P07384 1/20 0.34
MAOA P21397 1/20 0.33
HPGD P15428 1/20 0.33
CCNE2 O96020 3/20 0.33
CCNE1 P24864 3/20 0.33
CDK2 P24941 3/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ULK1 O75385 1/20 0.32
ADORA2A P29274 1/20 0.32

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
SCHEMBL22031394 0.87 KDM4E (0.37) KDM4EGPR3TRPM8CYP1A2CYP2A6
SCHEMBL14506263 0.85 KDM4E (0.40) KDM4EGPR3CYP1A2CYP2A6CAPN1
SCHEMBL22031439 0.84 KDM4E (0.35) KDM4EGPR3TRPM8CYP1A2CYP2A6
SCHEMBL22037342 0.78 KDM4E (0.40) KDM4EGPR3TRPM8CYP1A2CYP2A6
SCHEMBL12526215 0.77 GPR3 (0.42) KDM4EGPR3TRPM8CYP1A2CYP2A6
SCHEMBL13171265 0.75 KDM4E (0.44) KDM4EGPR3TRPM8CYP1A2CYP2A6
SCHEMBL22017356 0.75 CYP2A6 (0.44) KDM4EGPR3TRPM8CYP1A2CYP2A6
SCHEMBL22016465 0.75 GPR3 (0.40) GPR3TRPM8CYP1A2CYP2A6TLR7
SCHEMBL4105404 0.74 KDM4E (0.42) KDM4EGPR3TRPM8CYP1A2MAOA
SCHEMBL21954998 0.74 KDM4E (0.42) KDM4EGPR3TRPM8TLR7HPGD

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 8 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-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 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 (8 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 KDM4E 1442/4885GPR3 2044/4885TRPM8 943/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 KDM4E 1209/4885GPR3 2564/4885TRPM8 786/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM4E 2522/4885GPR3 3483/4885TRPM8 2550/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM4E 2522/4885GPR3 3483/4885TRPM8 2550/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B KDM4E 1390/4885GPR3 2006/4885TRPM8 1314/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR KDM4E 2655/4885GPR3 3778/4885TRPM8 1333/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 KDM4E 1442/4885GPR3 2044/4885TRPM8 943/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 KDM4E 2522/4885GPR3 3483/4885TRPM8 2550/4885

“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.