SCHEMBL3885696

SCHEMBL3885696

CCOC(=O)c1cc(N)c(C#N)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.45
HSD17B10 Q99714 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 10/20 0.44
MAPT P10636 6/20 0.44
HPGD P15428 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
GAA P10253 3/20 0.44
MAPK1 P28482 1/20 0.43
MEN1 O00255 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KMT2A Q03164 4/20 0.42
FHIT P49789 1/20 0.41
GLA P06280 2/20 0.40
ATM Q13315 2/20 0.40
TP53 P04637 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL3882730 0.83 KDM4E (0.42) KDM4EHSD17B10L3MBTL1ALDH1A1MAPT
SCHEMBL11441054 0.79 KDM4E (0.51) KDM4EHSD17B10L3MBTL1ALDH1A1MAPT
SCHEMBL38152 0.78 MAPT (0.60) KDM4EHSD17B10L3MBTL1ALDH1A1MAPT
SCHEMBL3881580 0.77 USP10 (0.53) KDM4EL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL25405212 0.75 GPR35 (0.39) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL18430426 0.75 KDM4E (0.47) KDM4EHSD17B10L3MBTL1ALDH1A1MAPT
SCHEMBL10496227 0.73 L3MBTL1 (0.51) KDM4EHSD17B10L3MBTL1ALDH1A1MAPT
SCHEMBL1514324 0.73 KDM4E (0.45) KDM4EHSD17B10L3MBTL1ALDH1A1MAPT
SCHEMBL12650326 0.73 KDM4E (0.45) KDM4EHSD17B10L3MBTL1ALDH1A1MAPT
SCHEMBL12895644 0.72 KDM4E (0.45) KDM4EHSD17B10L3MBTL1ALDH1A1MAPT

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
US-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2023-09-21 US disclosed
US-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2023-09-21 US disclosed
US-7485661-B2 Heterobicyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-02-03 US disclosed
EP-1534716-B1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-04-23 EP disclosed
US-20060160874-A1 Heterobicyclic pyrazole derivatives as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2006-07-20 US disclosed
EP-1534716-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-06-01 EP disclosed
WO-2004007504-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2004-01-22 WO 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-20060160874-A1 Heterobicyclic pyrazole derivatives as kinase inhibitors MAP2K2, MAP3K15, MAP3K5 KDM4E 1936/4885HSD17B10 3043/4885L3MBTL1 3341/4885
US-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 KDM4E 2157/4885HSD17B10 3302/4885L3MBTL1 2429/4885

“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.