SCHEMBL21965751

SCHEMBL21965751

CNc1cccc(C)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 3/20 0.40
LRRK2 Q5S007 1/20 0.40
KLK7 P49862 1/20 0.38
ADORA1 P30542 3/20 0.37
ADORA2A P29274 2/20 0.37
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 3/20 0.36
LMNA P02545 3/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ADORA2B P29275 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL102473 0.79 CYP1A2 (0.59) CYP1A2CYP2C19TSHRKDM4ELMNA
SCHEMBL2394925 0.79 TSHR (0.40) TSHRADORA1ADORA2AKDM4EHSD17B10
SCHEMBL13950508 0.79 CYP1A2 (0.43) CYP1A2CYP2C19TSHRLRRK2KDM4E
SCHEMBL27347806 0.79 CYP1A2 (0.43) CYP1A2CYP2C19TSHRLRRK2ADORA1
SCHEMBL2413602 0.78 ADORA1 (0.36) CYP1A2CYP2C19TSHRADORA1ADORA2A
SCHEMBL14857828 0.78 PRMT5 (0.38) ADORA1ADORA2AKDM4EHSD17B10LMNA
SCHEMBL11792479 0.78 SLC22A12 (0.44) CYP1A2CYP2C19TSHRADORA1ADORA2A
SCHEMBL6017719 0.78 KDM4E (0.50) CYP1A2LRRK2ADORA1ADORA2AKDM4E
SCHEMBL22979909 0.77 RAB9A (0.44) CYP1A2CYP2C19TSHRKDM4EHSD17B10
SCHEMBL28349620 0.77 CYP1A2 (0.57) CYP1A2CYP2C19TSHRKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814331-B9 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO INC (US) 2023-08-09 EP disclosed
US-20200140456-A1 N/O-LINKED DEGRONS AND DEGRONIMERS FOR PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2020-05-07 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 (1 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-20200140456-A1 N/O-LINKED DEGRONS AND DEGRONIMERS FOR PROTEIN DEGRADATION CRBN, CBL, STUB1 CYP1A2 4609/4885CYP2C19 4808/4885TSHR 1050/4885

“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.