SCHEMBL21663006

SCHEMBL21663006

CCOC(=O)C(C(=O)OC(C)(C)C)c1nc(Cl)ncc1NC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.36
SYK P43405 2/20 0.35
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
NFKB1 P19838 2/20 0.32
AAK1 Q2M2I8 1/20 0.32
ATF1 P18846 1/20 0.32
ABCB1 P08183 1/20 0.32
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL21662990 0.83 KMT2A (0.39) STK17BSTK17AKMT2ALMNAMEN1
SCHEMBL3968921 0.80 ALDH1A1 (0.39) STK17BSTK17AKMT2ALMNAMEN1
SCHEMBL21373780 0.79 MAPK1 (0.43) STK17BSTK17AKMT2ALMNAMEN1
SCHEMBL21373688 0.76 MAPK1 (0.45) STK17BSTK17AKMT2ALMNASYK
SCHEMBL5772792 0.76 MEN1 (0.44) STK17BSTK17AKMT2ALMNAMEN1
SCHEMBL13040072 0.72 LMNA (0.50) KMT2ALMNAMEN1CYP1A2CYP3A4
SCHEMBL3732640 0.71 KMT2A (0.43) KMT2ALMNAMEN1MAPK1CYP1A2
SCHEMBL18036236 0.71 MAPT (0.47) KMT2AMEN1SYKMAPK1CYP1A2
SCHEMBL16522671 0.70 KMT2A (0.47) KMT2ALMNAMEN1MAPK1CYP1A2
SCHEMBL23534866 0.70 KMT2A (0.51) STK17BSTK17AKMT2ALMNAMEN1

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 STK17B 2653/4885STK17A 2228/4885KMT2A 2962/4885
US-20200039983-A1 PYRIDYLAMINO SUBSTITUTED HETEROTRICYCLIC COMPOUNDS, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF CYP2D6, PNPO, CYP2B6 STK17B 2653/4885STK17A 2228/4885KMT2A 2962/4885

“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.