SCHEMBL21163901

SCHEMBL21163901

Cc1cnc(Cl)nc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.48
▸ OPRK1 P41145 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ APP P05067 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ NPBWR1 P48145 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ PDK1 Q15118 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
SCHEMBL29126851 0.84 KMT2A (0.47) KMT2AOPRK1MAPTLMNARAB9A
SCHEMBL21121210 0.82 MAPT (0.59) KMT2AMAPTLMNARAB9ANPC1
SCHEMBL25560260 0.79 ALDH1A1 (0.49) KMT2AMAPTLMNAALDH1A1KDM4E
SCHEMBL4540454 0.77 PTGS2 (0.47) —
SCHEMBL13828996 0.76 RAB9A (0.46) KMT2AMAPTLMNARAB9ANPC1
SCHEMBL22529466 0.76 PDK1 (0.49) PDK1
SCHEMBL16585820 0.76 PDK1 (0.40) KMT2AMAPTLMNARAB9ANPC1
SCHEMBL12813116 0.76 MAPK14 (0.42) PDK1
SCHEMBL2348873 0.75 KDM4E (0.52) KMT2AMAPTLMNARAB9AALDH1A1
SCHEMBL17979842 0.74 MAPT (0.49) KMT2AMAPTRAB9ANPC1ACHE

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-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-118994031-A Novel pyrimidine biphenyl derivative with anti-tumor activity and preparation method and application thereof 吉林大学 2024-11-22 — — 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

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 1740/4885OPRK1 4466/4885MAPT 4802/4885

“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.

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