SCHEMBL21663284

SCHEMBL21663284

CCn1nc2c(c1C(C)C)C(=O)CC(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ OPRM1 P35372 4/20 0.38
▸ HTT P42858 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ SRC P12931 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL21663018 0.80 MEN1 (0.41) ALPLMAPK1MEN1KMT2AOPRM1
SCHEMBL21663042 0.78 CDK4 (0.37) —
SCHEMBL10192432 0.76 CYP1A2 (0.38) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL21663290 0.75 — —
SCHEMBL21663287 0.71 — —
SCHEMBL21663190 0.70 CDK4 (0.35) —
SCHEMBL12458727 0.65 MEN1 (0.49) ALPLMAPK1MEN1KMT2AOPRM1
SCHEMBL10191392 0.65 HTT (0.38) KMT2AHTTALDH1A1SMN1; SMN2SRC
SCHEMBL17066967 0.64 HDAC1 (0.57) ALPLOPRM1HTT
SCHEMBL21663157 0.64 CDK4 (0.32) —

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 ALPL 1900/4885MAPK1 1051/4885MEN1 728/4885
US-20200039983-A1 PYRIDYLAMINO SUBSTITUTED HETEROTRICYCLIC COMPOUNDS, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF CYP2D6, PNPO, CYP2B6 ALPL 1900/4885MAPK1 1051/4885MEN1 728/4885

“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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