SCHEMBL22016182

SCHEMBL22016182

Cc1c(C(C)C)c(=O)n(C)c2cc(F)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
KAT2B Q92831 1/20 0.38
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
TTR P02766 3/20 0.35
THRB P10828 1/20 0.35
PGR P06401 1/20 0.35
AR P10275 1/20 0.35
MPI P34949 3/20 0.35
PKM P14618 3/20 0.35
PMM2 O15305 2/20 0.35
PHOSPHO1 Q8TCT1 2/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PER2 O15055 2/20 0.34
CRY1 Q16526 2/20 0.34
CRY2 Q49AN0 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL22016488 0.88 ATM (0.41) ATMTP53POLBTHRBPGR
SCHEMBL22035473 0.82 NTRK1 (0.44) TTRALDH1A1LMNAHDAC8
SCHEMBL21979007 0.78 ATM (0.50) ATMKAT2BTP53POLBTTR
SCHEMBL30901293 0.78 ATM (0.50) ATMKAT2BTP53POLBTTR
SCHEMBL22017085 0.78 KDM4E (0.46) PGRKMT2AKDM4EALDH1A1LMNA
SCHEMBL22016181 0.73 MAPK8 (0.40) KDM4ELMNAMAPTTDP1
SCHEMBL22017134 0.72 ATM (0.38) ATMPGRARMEN1KMT2A
SCHEMBL22017354 0.72 PGR (0.44) TP53PGRPKMMEN1KMT2A
SCHEMBL10247455 0.71 ATM (0.42) ATMMEN1KMT2APER2CRY1
SCHEMBL17825042 0.70 ATM (0.56) ATMPKMKDM4EALDH1A1LMNA

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-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-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-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 (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 ATM 3786/4885KAT2B 1149/4885TP53 4162/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 ATM 4085/4885KAT2B 1127/4885TP53 4112/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ATM 2237/4885KAT2B 754/4885TP53 2090/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ATM 3786/4885KAT2B 1149/4885TP53 4162/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ATM 2237/4885KAT2B 754/4885TP53 2090/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 ATM 3786/4885KAT2B 1149/4885TP53 4162/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ATM 3786/4885KAT2B 1149/4885TP53 4162/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 ATM 2237/4885KAT2B 754/4885TP53 2090/4885

“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.