SCHEMBL17893111

SCHEMBL17893111

CCOC(=O)C1C2CC(CO[Si](C)(C)C(C)(C)C)CC21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
HSD11B1 P28845 1/20 0.33
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
FKBP1A P62942 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL368178 0.89 PPM1B (0.39) PPM1BPTPN1PPP1CCHSD11B1MAPT
SCHEMBL19456165 0.81 PPM1D (0.40) PPM1BPTPN1PPP1CCHSD11B1MAPT
SCHEMBL20983399 0.81 PPM1D (0.40) PPM1BPTPN1PPP1CCHSD11B1MAPT
SCHEMBL2504844 0.81 PPM1D (0.40) PPM1BPTPN1PPP1CCHSD11B1MAPT
SCHEMBL3652002 0.79 MEN1 (0.40) PPM1BPTPN1PPP1CCMAPTTSHR
SCHEMBL16840401 0.78 CA1 (0.40) PPM1BPTPN1PPP1CCMAPTTSHR
SCHEMBL29994306 0.78 CA1 (0.40) PPM1BPTPN1PPP1CCMAPTTSHR
SCHEMBL29735812 0.78 CA1 (0.40) PPM1BPTPN1PPP1CCMAPTTSHR
SCHEMBL15415792 0.77 PPM1D (0.41) PPM1BPTPN1PPP1CCHSD11B1MAPT
SCHEMBL31644963 0.77 TSHR (0.38) HSD11B1MAPTCYP1A2TSHRCYP2C19

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-2016109223-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
WO-2016109222-A1 TERTIARY ALCOHOL 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 PPM1B 164/4885PTPN1 90/4885PPP1CC 459/4885
US-10087188-B2 Benzamide imidazopyrazine Btk inhibitors BTK, SYK, ABL1 PPM1B 164/4885PTPN1 90/4885PPP1CC 459/4885
US-10208047-B2 Tertiary alcohol imidazopyrazine BTK inhibitors BTK, SYK, ABL1 PPM1B 49/4885PTPN1 43/4885PPP1CC 249/4885
US-20170342076-A1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS BTK, SYK, ABL1 PPM1B 49/4885PTPN1 43/4885PPP1CC 249/4885

“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.