SCHEMBL21121007

SCHEMBL21121007

Cc1cnc(N)nc1-c1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
ADORA1 P30542 9/20 0.44
ADORA2A P29274 5/20 0.44
RPS6KA3 P51812 1/20 0.43
MAP3K14 Q99558 2/20 0.41
LCK P06239 1/20 0.41
KDR P35968 1/20 0.41
JAK3 P52333 1/20 0.41
MAPK14 Q16539 1/20 0.41
GRM4 Q14833 1/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
DHFR P00374 1/20 0.40
BLM P54132 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3021383 0.85 ADORA1 (0.59) ADORA1ADORA2AGRM4
SCHEMBL8076723 0.85 ACHE (0.42) KMT2AKDRMEN1MAPTBLM
SCHEMBL10936938 0.83 ADORA1 (0.58) KMT2AADORA1ADORA2ARPS6KA3MAP3K14
SCHEMBL21121012 0.82 KMT2A (0.43) KMT2AADORA1ADORA2ARPS6KA3MAP3K14
SCHEMBL31339965 0.82 KMT2A (0.71) KMT2AADORA1ADORA2AMEN1MAPT
SCHEMBL28406688 0.82 DHFR (0.56) KMT2AADORA1ADORA2ARPS6KA3MAP3K14
SCHEMBL16585820 0.81 PDK1 (0.40) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL21121008 0.81 ADORA1 (0.42) KMT2AADORA1ADORA2ARPS6KA3MAP3K14
SCHEMBL3397294 0.81 HRH3 (0.51) KMT2AADORA1ADORA2ARPS6KA3
SCHEMBL4541570 0.80 IKBKB (0.48) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111065635-A Novel pyrimidine derivatives as MTH1 inhibitors 无锡安万生物科技有限公司 2020-04-24 CN claimed
WO-2019134082-A1 NOVEL PYRIMIDINE DERIVATIVES AS MTH1 INHIBITORS WUXI ADVANT BIOTECHNOLOGY CO., LTD. (CN) 2019-07-11 WO claimed
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
CN-111065635-B Novel pyrimidine derivatives as MTH1 inhibitors 无锡安万生物科技有限公司 2022-07-22 CN disclosed
CN-111065635-A Novel pyrimidine derivatives as MTH1 inhibitors 无锡安万生物科技有限公司 2020-04-24 CN disclosed
WO-2019134082-A1 NOVEL PYRIMIDINE DERIVATIVES AS MTH1 INHIBITORS WUXI ADVANT BIOTECHNOLOGY CO., LTD. (CN) 2019-07-11 WO disclosed
WO-2019134082-A1 NOVEL PYRIMIDINE DERIVATIVES AS MTH1 INHIBITORS WUXI ADVANT BIOTECHNOLOGY CO., LTD. (CN) 2019-07-11 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-20260124202-A1 CD97 AND GSDME INTERACTION INHIBITOR HAVING ANTI-TUMOR ACTIVITY AND APPLICATION THEREOF GZMB, CD74, GSDMD KMT2A 1740/4885ADORA1 1820/4885ADORA2A 1870/4885

“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.