SCHEMBL31525317

SCHEMBL31525317

Cc1ccc2nc(C#N)ccc2c1-n1cccn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
NQO1 P15559 1/20 0.35
GRM5 P41594 4/20 0.34
NLRP3 Q96P20 3/20 0.33
NPC1 O15118 2/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KCNH2 Q12809 1/20 0.32
RAB9A P51151 1/20 0.32
LRRK2 Q5S007 1/20 0.32
MBOAT4 Q96T53 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
CRHR1 P34998 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL31525434 0.76 KDM4E (0.39) NPC1MAPK1ALDH1A1RAB9ALRRK2
SCHEMBL31525603 0.75 MAPT (0.46) NPC1MAPK1ALDH1A1KDM4E
SCHEMBL2170098 0.70 TSHR (0.44) ADORA2AGRM5NPC1MAPK1ALDH1A1
SCHEMBL8745764 0.69 NQO1 (0.42) NQO1GRM5ALDH1A1KCNH2KDM4E
SCHEMBL31525814 0.69 HTR1A (0.40) NLRP3NPC1MAPK1ALDH1A1KCNH2
SCHEMBL31589340 0.68 MAPK1 (0.44) NPC1MAPK1ALDH1A1RAB9AKDM4E
SCHEMBL18151671 0.67 KDM4E (0.40) ADORA2AGRM5MAPK1ALDH1A1KDM4E
SCHEMBL2952613 0.66 GRM5 (0.48) ADORA2AGRM5NLRP3NPC1MAPK1
SCHEMBL25873382 0.66 NQO1 (0.40) NQO1ALDH1A1KDM4E
SCHEMBL24206916 0.65 NQO1 (0.39) NQO1MAPK1ALDH1A1

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
US-20250122152-A1 KAT6 Inhibitors BEIGENE SWITZERLAND GMBH (CH) 2025-04-17 US disclosed
WO-2025068943-A1 KAT6 INHIBITORS BEIGENE SWITZERLAND GMBH (CH) 2025-04-03 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 (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-20250122152-A1 KAT6 Inhibitors KAT6A, KAT6B, KAT7 ADORA2A 4691/4885NQO1 652/4885GRM5 2305/4885

“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.