SCHEMBL21160958

SCHEMBL21160958

Cc1nc2c([nH]1)C(=O)CC2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP3 Q9Y6F1 1/20 0.41
TYMS P04818 5/20 0.40
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.31
HIF1A Q16665 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL19153079 0.88 KDM4E (0.43) PARP1PARP15PARP3TYMSKDM4E
SCHEMBL17895756 0.76 PDK1 (0.35) PARP1PARP15PARP3TYMSKDM4E
SCHEMBL19153081 0.74 PARP1 (0.38) PARP1PARP15PARP3TYMSKDM4E
SCHEMBL21663149 0.74 ADORA3 (0.35) L3MBTL1GAASMN1; SMN2
SCHEMBL12199286 0.74 KDM4E (0.36) KDM4E
SCHEMBL22383681 0.74 PARP1 (0.35) PARP1PARP15PARP3TYMSALDH1A1
SCHEMBL18711836 0.70 PARP1 (0.62) PARP1PARP15PARP3TYMSKDM4E
SCHEMBL19152668 0.67 PARP1 (0.39) PARP1PARP15PARP3TYMSKDM4E
SCHEMBL12488755 0.67 CRBN (0.39) PARP1PARP15PARP3TYMSKDM4E
SCHEMBL15116441 0.66 TYMS (0.63) PARP1TYMSKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505519-B1 PYRIDINAMINE-SUBSTITUTED HETEROTRICYCLO COMPOUNDS, PREPARATION THEREOF, AND USE IN MEDICINES SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2022-01-05 EP disclosed
US-11168088-B2 Pyridylamino substituted heterotricyclic compounds, and preparation method and pharmaceutical use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. 2021-11-09 US disclosed
US-20200039983-A1 PYRIDYLAMINO SUBSTITUTED HETEROTRICYCLIC COMPOUNDS, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-02-06 US disclosed
EP-3505519-A1 PYRIDINAMINE-SUBSTITUTED HETEROTRICYCLO COMPOUNDS, PREPARATION THEREOF, AND USE IN MEDICINES Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2019-07-03 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 (2 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-11168088-B2 Pyridylamino substituted heterotricyclic compounds, and preparation method and pharmaceutical use thereof CYP2D6, PNPO, CYP2B6 PARP1 1232/4885PARP15 1341/4885PARP3 733/4885
US-20200039983-A1 PYRIDYLAMINO SUBSTITUTED HETEROTRICYCLIC COMPOUNDS, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF CYP2D6, PNPO, CYP2B6 PARP1 1232/4885PARP15 1341/4885PARP3 733/4885

“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.