SCHEMBL17893501

SCHEMBL17893501

C=C(C)c1ccc(C(=O)O)cc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 3/20 0.47
ATM Q13315 3/20 0.47
GAA P10253 3/20 0.47
GLA P06280 2/20 0.47
MAPT P10636 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
KDM6B O15054 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43

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
SCHEMBL17892448 0.90 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10ATM
SCHEMBL29699657 0.88 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10ATM
SCHEMBL820141 0.88 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10ATM
SCHEMBL17892403 0.87 SORT1 (0.48) KDM4EALDH1A1HPGDHSD17B10ATM
SCHEMBL293611 0.86 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10ATM
SCHEMBL5834949 0.83 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10ATM
SCHEMBL293610 0.82 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10ATM
SCHEMBL28051316 0.80 KDM4E (0.56) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL15762092 0.79 CYP46A1 (0.50) KDM4EALDH1A1HPGDHSD17B10ATM
SCHEMBL1018113 0.79 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240572-B1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
EP-3240546-B1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME (US) 2020-10-21 EP disclosed
US-10208047-B2 Tertiary alcohol imidazopyrazine BTK inhibitors MERCK SHARP & DOHME CORP. (US) 2019-02-19 US disclosed
US-10087188-B2 Benzamide imidazopyrazine Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-02 US disclosed
US-20170362242-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
US-20170342076-A1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-11-30 US disclosed
EP-3240572-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP disclosed
EP-3240546-A1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP disclosed
WO-2016109222-A1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
WO-2016109223-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO 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-20170362242-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS BTK, SYK, ABL1 KDM4E 916/4885ALDH1A1 3567/4885HPGD 3385/4885
US-10087188-B2 Benzamide imidazopyrazine Btk inhibitors BTK, SYK, ABL1 KDM4E 916/4885ALDH1A1 3567/4885HPGD 3385/4885
US-10208047-B2 Tertiary alcohol imidazopyrazine BTK inhibitors BTK, SYK, ABL1 KDM4E 806/4885ALDH1A1 745/4885HPGD 3494/4885
US-20170342076-A1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS BTK, SYK, ABL1 KDM4E 806/4885ALDH1A1 745/4885HPGD 3494/4885

“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.