SCHEMBL10323668

SCHEMBL10323668

COc1ncc(C=O)c(N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.36
▸ FTO Q9C0B1 2/20 0.35
▸ HASPIN Q8TF76 1/20 0.35
▸ ALKBH5 Q6P6C2 1/20 0.35
▸ PLAU P00749 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PIK3CA P42336 3/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ERN1 O75460 1/20 0.32
▸ PRKDC P78527 2/20 0.32
▸ PIK3CD O00329 1/20 0.32

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
SCHEMBL12094142 0.83 CYP1A2 (0.34) CYP1A2FTOHASPINALKBH5PLAU
SCHEMBL1904655 0.79 QPCT (0.39) CYP1A2PLAUALDH1A1KDM4ETSHR
SCHEMBL6691290 0.78 ERN1 (0.38) CYP1A2FTOALDH1A1KDM4ETSHR
SCHEMBL4144972 0.77 THRB (0.38) PLAUALDH1A1KDM4EMAP4K4MEN1
SCHEMBL4144963 0.77 THRB (0.38) PLAUALDH1A1KDM4EMAP4K4MEN1
SCHEMBL8626075 0.75 LMNA (0.43) CYP1A2ALDH1A1KDM4ETSHRTDP1
SCHEMBL3417147 0.74 HASPIN (0.39) CYP1A2FTOHASPINALKBH5PLAU
SCHEMBL4716502 0.74 — —
Hydrochloric Acid SCHEMBL10954513 0.73 LMNA (0.42) CYP1A2ALDH1A1KDM4ETSHRTDP1
SCHEMBL11084669 0.72 PIK3CA (0.39) CYP1A2FTOHASPINALKBH5PLAU

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
CN-116332859-B Hydrazone compound and preparation method and application thereof 华中师范大学 2025-02-25 — — CN disclosed
CN-116332859-A Hydrazone compound and preparation method and application thereof 华中师范大学 2023-06-27 — — CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 — — US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 — — US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 — — US 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-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD CYP1A2 1767/4885FTO 4221/4885HASPIN 1791/4885

“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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