SCHEMBL2371930

SCHEMBL2371930

CC(O[Si](C)(C)C(C)(C)C)c1cccc(N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.36
CYP3A4 P08684 3/20 0.34
CASP1 P29466 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
KRAS P01116 1/20 0.34
SOS1 Q07889 1/20 0.34
APLNR P35414 2/20 0.33
DHFR P00374 2/20 0.33
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
AOC3 Q16853 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
TP53 P04637 1/20 0.32
AURKA O14965 1/20 0.31

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
SCHEMBL29904599 1.00 MAPKAPK2 (0.36) MAPKAPK2CYP3A4CASP1RECQLALDH1A1
SCHEMBL8281168 1.00 MAPKAPK2 (0.36) MAPKAPK2CYP3A4CASP1RECQLALDH1A1
SCHEMBL13450829 1.00 MAPKAPK2 (0.36) MAPKAPK2CYP3A4CASP1RECQLALDH1A1
SCHEMBL6160560 0.81 APLNR (0.41) ALDH1A1KRASSOS1APLNRMAPK1
SCHEMBL30161153 0.81 APLNR (0.41) ALDH1A1KRASSOS1APLNRMAPK1
SCHEMBL23192881 0.81 DHFR (0.44) DHFRAOC3
SCHEMBL24010070 0.81 APLNR (0.41) ALDH1A1KRASSOS1APLNRMAPK1
SCHEMBL26125642 0.80 NPC1 (0.33) ALDH1A1APLNRTP53MAPK1KDM4E
SCHEMBL26125646 0.80 NPC1 (0.33) ALDH1A1APLNRTP53MAPK1KDM4E
SCHEMBL9185287 0.79 ADRA2B (0.38) ALDH1A1AOC3ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190823-A1 NRF2 INHIBITORS AND USES THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2024-06-13 US disclosed
US-8815891-B2 Tricyclic derivative or pharmaceutically acceptable salts thereof, preparation method thereof, and pharmaceutical composition containing the same JE IL PHARMACEUTICAL CO., LTD. (KR) 2014-08-26 US disclosed
US-8815891-B2 Tricyclic derivative or pharmaceutically acceptable salts thereof, preparation method thereof, and pharmaceutical composition containing the same JE IL PHARMACEUTICAL CO., LTD. (KR) 2014-08-26 US disclosed
EP-2364983-B1 NOVEL TRICYCLIC DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME JEIL PHARMACEUTICAL CO LTD (KR) 2013-10-23 EP disclosed
EP-2364983-A2 NOVEL TRICYCLIC DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Jeil Pharmaceutical Co., Ltd. (KR) 2011-09-14 EP disclosed
US-20110218193-A1 NOVEL TRICYCLIC DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME JE IL PHARMACEUTICAL CO., LTD. (KR) 2011-09-08 US disclosed
US-20110218193-A1 NOVEL TRICYCLIC DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME JE IL PHARMACEUTICAL CO., LTD. (KR) 2011-09-08 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 (2 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-20110218193-A1 NOVEL TRICYCLIC DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME PARP1, PARP15, PARP11 MAPKAPK2 2712/4885CYP3A4 1353/4885CASP1 543/4885
US-20240190823-A1 NRF2 INHIBITORS AND USES THEREOF KEAP1, NFE2L2, NQO1 MAPKAPK2 1918/4885CYP3A4 74/4885CASP1 1806/4885

“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.