SCHEMBL31339965

SCHEMBL31339965

COc1ccc(-c2nc(N)ncc2C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.71
MAPT P10636 5/20 0.56
HTT P42858 3/20 0.56
TP53 P04637 2/20 0.56
TSHR P16473 2/20 0.56
MAPK10 P53779 2/20 0.56
MAPK1 P28482 1/20 0.56
PTK2B Q14289 1/20 0.56
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
ADORA1 P30542 4/20 0.54
HRH3 Q9Y5N1 2/20 0.52
HRH2 P25021 1/20 0.52
ADORA2A P29274 3/20 0.51
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CDC25A P30304 1/20 0.48
CDC25B P30305 1/20 0.48

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
SCHEMBL21121007 0.82 KMT2A (0.47) KMT2AMAPTTP53ADORA1ADORA2A
SCHEMBL1013776 0.81 PIK3CA (0.50) KMT2AADORA1ADORA2A
SCHEMBL31339979 0.80 KMT2A (0.46) KMT2AMAPTLMNAMEN1KDM4E
SCHEMBL3021383 0.79 ADORA1 (0.59) ADORA1ADORA2ALMNA
SCHEMBL16891621 0.78 ADORA1 (0.66) KMT2AMAPTHTTTP53TSHR
SCHEMBL10936938 0.77 ADORA1 (0.58) KMT2AADORA1ADORA2ALMNA
SCHEMBL5448851 0.77 KMT2A (0.86) KMT2AMAPTHTTTP53TSHR
SCHEMBL28406688 0.77 DHFR (0.56) KMT2AMAPTHTTTP53TSHR
SCHEMBL21121012 0.77 KMT2A (0.43) KMT2AADORA1ADORA2AKDM4E
SCHEMBL11375323 0.77 KMT2A (0.54) KMT2AMAPTHTTTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260124202-A1 CD97 AND GSDME INTERACTION INHIBITOR HAVING ANTI-TUMOR ACTIVITY AND APPLICATION THEREOF JILIN UNIVERSITY (CN) 2026-05-07 US disclosed
EP-4725485-A1 CD97 AND GSDME INTERACTION INHIBITOR HAVING ANTI-TUMOR ACTIVITY AND APPLICATION THEREOF Jilin University (CN) 2026-04-15 EP disclosed
CN-119285557-A CD97 and GSDME interaction inhibitor with anti-tumor activity and application thereof 吉林大学 2025-01-10 CN 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-20260124202-A1 CD97 AND GSDME INTERACTION INHIBITOR HAVING ANTI-TUMOR ACTIVITY AND APPLICATION THEREOF GZMB, CD74, GSDMD KMT2A 1740/4885MAPT 4802/4885HTT 4817/4885

“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.