SCHEMBL3417147

SCHEMBL3417147

COc1ncc(N)c(N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 1/20 0.39
CYP1A2 P05177 5/20 0.37
PIK3CA P42336 3/20 0.37
FTO Q9C0B1 3/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
PLAU P00749 2/20 0.36
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
EPHB4 P54760 1/20 0.35
PRKDC P78527 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
ALDH1A1 P00352 2/20 0.33
PDPK1 O15530 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL16178329 0.80 CYP1A2 (0.45) HASPINCYP1A2PIK3CAFTOALKBH5
SCHEMBL841631 0.80 P2RX3 (0.42) HASPINPLAUALDH1A1
SCHEMBL30399803 0.80 PLAU (0.40) HASPINCYP1A2PIK3CAFTOALKBH5
SCHEMBL11084669 0.80 PIK3CA (0.39) HASPINCYP1A2PIK3CAFTOALKBH5
SCHEMBL3192300 0.80 PLAU (0.40) HASPINCYP1A2PIK3CAFTOALKBH5
SCHEMBL2724076 0.78 GAA (0.39) HASPINCYP1A2PIK3CAFTOALKBH5
SCHEMBL29560817 0.78 DCK (0.39) HASPINCYP1A2PIK3CAFTOALKBH5
SCHEMBL10998174 0.78 FTO (0.39) HASPINCYP1A2PIK3CAFTOALKBH5
SCHEMBL22833803 0.78 HASPIN (0.37) HASPINCYP1A2PIK3CAFTOALKBH5
SCHEMBL30067848 0.78 HASPIN (0.37) HASPINCYP1A2PIK3CAFTOALKBH5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110452355-B Self-repairing rat-proof and termite-proof polyurethane, preparation method and application 安徽建筑大学 2021-07-16 CN claimed
EP-3362100-B1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2022-06-22 EP disclosed
CN-110452355-B Self-repairing rat-proof and termite-proof polyurethane, preparation method and application 安徽建筑大学 2021-07-16 CN disclosed
US-10729738-B2 Hindered disulfide drug conjugates GENENTECH, INC. (US) 2020-08-04 US disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 US disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 US disclosed
WO-2017064675-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH, INC. (US) 2017-04-20 WO disclosed
US-8252791-B2 Purine compounds as cannabinoid receptor blockers JENRIN DISCOVERY, INC. (US) 2012-08-28 US disclosed
US-20100041650-A1 PURINE COMPOUNDS AS CANNABINOID RECEPTOR BLOCKERS JENRIN DISCOVERY (US) 2010-02-18 US disclosed
WO-2010019762-A1 PURINE COMPOUNDS AS CANNABINOID RECEPTOR BLOCKERS JENRIN DISCOVERY (US) 2010-02-18 WO disclosed
WO-2008071962-A1 PTERIDINES AND PYRIMIDINOPYRIDINES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2008-06-19 WO disclosed
EP-0184738-A2 Imidazole derivatives, medicaments containing these compounds, and process for their preparation Dr. Karl Thomae GmbH (DE) 1986-06-18 EP 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 (3 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-20100041650-A1 PURINE COMPOUNDS AS CANNABINOID RECEPTOR BLOCKERS CNR1, CNR2, P2RY1 HASPIN 2023/4885CYP1A2 600/4885PIK3CA 973/4885
US-10729738-B2 Hindered disulfide drug conjugates STS, TST, SCLY HASPIN 1345/4885CYP1A2 320/4885PIK3CA 4317/4885
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES STS, TST, SCLY HASPIN 1345/4885CYP1A2 320/4885PIK3CA 4317/4885

“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.