SCHEMBL29428699

SCHEMBL29428699

Oc1ncnc2c1CCNC2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
HTR5A P47898 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
NR2E1 Q9Y466 1/20 0.33
PNMT P11086 3/20 0.32
HTR2C P28335 2/20 0.32
CD44 P16070 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31
KDR P35968 1/20 0.30
PRKDC P78527 2/20 0.30
KCNH2 Q12809 2/20 0.30
PARP1 P09874 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
ERN1 O75460 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
SCHEMBL17298716 1.00 KDM4E (0.33) KDM4EHTR5ANISCHNR2E1PNMT
Hydrochloric Acid SCHEMBL18010982 0.98 KDM4E (0.32) KDM4EHTR5ANISCHNR2E1PNMT
SCHEMBL4198092 0.86 ADCY6 (0.34) HTR2CHTR2AHTR2B
SCHEMBL1911814 0.85 PNMT (0.33) PNMTHTR2CHTR2AHTR2B
SCHEMBL25678467 0.78 CYP1A2 (0.36) PNMTHTR2CCD44HTR2AHTR2B
SCHEMBL21036380 0.77 HTR2C (0.33) PNMTHTR2CCD44HTR2AHTR2B
SCHEMBL4987970 0.77 CD44 (0.38) PNMTHTR2CCD44KDRPARP1
SCHEMBL16034950 0.77 PNMT (0.41) PNMTHTR2CCD44HTR2AHTR2B
SCHEMBL21036376 0.77 CHRM3 (0.33) PNMTHTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL21003163 0.76 HTR2C (0.33) PNMTHTR2CCD44HTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250368649-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2025-12-04 US disclosed
EP-4540254-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2025-04-23 EP disclosed
CN-119654320-A Prodrugs of PAN-KRas inhibitors 米拉蒂治疗股份有限公司 2025-03-18 CN disclosed
CN-118786129-A Covalent binding inhibitors of G12S, G D and/or G12E mutants of K-RAS GTPases 加利福尼亚大学董事会 2024-10-15 CN disclosed
EP-4414365-A1 PYRIDAZINONES AND METHODS OF USE THEREOF Goldfinch Bio, Inc. (US) 2024-08-14 EP disclosed
CN-117769554-A Small molecule inhibitors of KRAS muteins 大鹏药品工业株式会社 2024-03-26 CN disclosed
WO-2024046370-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITORS, AND PREPARATION AND THERAPEUTIC USE THEREOF 上海科州药物研发有限公司 2024-03-07 WO disclosed
WO-2023244604-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-12-21 WO disclosed
EP-4216951-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2023-08-02 EP disclosed
WO-2022250170-A9 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-01-05 WO disclosed
WO-2022066646-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2022-03-31 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-20250368649-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS KDM4E 2625/4885HTR5A 4463/4885NISCH 843/4885

“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.