SCHEMBL21663010

SCHEMBL21663010

CCc1nc2c([nH]1)CCCC2=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.35
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PKN1 Q16512 1/20 0.33
PKN2 Q16513 1/20 0.33
PTK2 Q05397 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.31
SRC P12931 1/20 0.31
TSHR P16473 1/20 0.30
DDAH1 O94760 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
SCHEMBL4773286 0.83 KMT2A (0.42) L3MBTL1KMT2AADORA3ADORA2AADORA1
SCHEMBL17269709 0.78 CDC7 (0.38) HSD17B10ADORA3ADORA2AADORA1TNKS2
SCHEMBL5555023 0.76 L3MBTL1 (0.51) L3MBTL1KMT2AHSD17B10PKN1PKN2
SCHEMBL9231182 0.75 KMT2A (0.41) L3MBTL1KMT2A
SCHEMBL22487790 0.73 ADORA1 (0.38) ADORA3ADORA2AADORA1TNKS2DDAH1
SCHEMBL9077277 0.72 L3MBTL1 (0.47) L3MBTL1KMT2APTK2SMN1; SMN2TSHR
SCHEMBL2502652 0.71 L3MBTL1 (0.47) L3MBTL1KMT2APKN1PKN2PTK2
SCHEMBL2475108 0.71 L3MBTL1 (0.47) L3MBTL1KMT2APKN1PKN2PTK2
SCHEMBL9178197 0.69 HRH4 (0.38) KMT2AADORA3ADORA2AADORA1TNKS2
SCHEMBL2513496 0.68 L3MBTL1 (0.44) L3MBTL1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 L3MBTL1 4827/4885KMT2A 2962/4885HSD17B10 2070/4885
US-20200039983-A1 PYRIDYLAMINO SUBSTITUTED HETEROTRICYCLIC COMPOUNDS, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF CYP2D6, PNPO, CYP2B6 L3MBTL1 4827/4885KMT2A 2962/4885HSD17B10 2070/4885

“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.