SCHEMBL22016488

SCHEMBL22016488

Cc1c(C(C)C)c(=O)n(C)c2ccc(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
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 6/20 0.38
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SRC P12931 1/20 0.37
HSD17B10 Q99714 1/20 0.36
GRM4 Q14833 1/20 0.36
HSP90AA1 P07900 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
PGR P06401 1/20 0.35
AR P10275 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
SCHEMBL22016182 0.88 ATM (0.48) ATMMEN1KMT2AKDM4EALDH1A1
SCHEMBL22016181 0.82 MAPK8 (0.40) HCRTR1KDM4E
SCHEMBL22017354 0.81 PGR (0.44) MEN1KMT2AALDH1A1SRCTP53
SCHEMBL22017134 0.81 ATM (0.38) ATMMEN1HCRTR1KMT2AKDM4E
SCHEMBL24312068 0.80 PER2 (0.34) ATMKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21978883 0.78 ATM (0.43) ATMMEN1HCRTR1KMT2AKDM4E
SCHEMBL30901264 0.78 ATM (0.43) ATMMEN1HCRTR1KMT2AKDM4E
SCHEMBL22017085 0.78 KDM4E (0.46) KMT2AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL22035533 0.77 TLR7 (0.40)
SCHEMBL22017133 0.76 HSP90AA1 (0.44) ATMMEN1HCRTR1KMT2AKDM4E

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 11 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-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2022-05-05 US disclosed
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 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-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2020-05-21 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 (11 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 ATM 3786/4885MEN1 3521/4885HCRTR1 4851/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 ATM 4085/4885MEN1 4020/4885HCRTR1 4852/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ATM 2237/4885MEN1 2786/4885HCRTR1 3849/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ATM 3786/4885MEN1 3521/4885HCRTR1 4851/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ATM 2237/4885MEN1 2786/4885HCRTR1 3849/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 ATM 3786/4885MEN1 3521/4885HCRTR1 4851/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR ATM 2532/4885MEN1 3235/4885HCRTR1 4745/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ATM 3786/4885MEN1 3521/4885HCRTR1 4851/4885
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR ATM 2532/4885MEN1 3235/4885HCRTR1 4745/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 ATM 2237/4885MEN1 2786/4885HCRTR1 3849/4885
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR ATM 2532/4885MEN1 3235/4885HCRTR1 4745/4885

“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.