SCHEMBL13033010

SCHEMBL13033010

Cc1cc(C2CC2)nc(NCCO)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.65
KMT2A Q03164 2/20 0.65
GAA P10253 2/20 0.65
MEN1 O00255 1/20 0.65
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
HRH4 Q9H3N8 2/20 0.39
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 4/20 0.38
GLA P06280 2/20 0.38
HPGD P15428 2/20 0.37
CASP1 P29466 1/20 0.37
RAB9A P51151 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RECQL P46063 1/20 0.37
MCL1 Q07820 1/20 0.37
CYP1A2 P05177 1/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL13034405 0.81 KMT2A (0.96) MAPK1KMT2AGAAMEN1KDM4E
SCHEMBL12986280 0.81 MAPK1 (0.44) MAPK1KMT2AGAAMEN1KDM4E
SCHEMBL9872347 0.75 AGTR1 (0.37) GAAPOLBPKMHRH4
SCHEMBL18007670 0.74 MAPT (0.44) KMT2AGAAMEN1KDM4EPOLB
SCHEMBL23025113 0.73 KMT2A (0.73) MAPK1KMT2AGAAMEN1KDM4E
SCHEMBL22228311 0.73 KMT2A (0.73) MAPK1KMT2AGAAMEN1KDM4E
SCHEMBL13033933 0.72 KMT2A (0.71) MAPK1KMT2AGAAMEN1KDM4E
SCHEMBL21637212 0.72 MAPT (0.41) KMT2AGAAMEN1KDM4EPOLB
SCHEMBL12986448 0.71 KMT2A (0.69) MAPK1KMT2AGAAMEN1KDM4E
SCHEMBL24288000 0.71 ALDH1A1 (0.38) KMT2AGAAMEN1KDM4ECYP2C19

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-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 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 (1 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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MAPK1 50/4885KMT2A 939/4885GAA 3891/4885

“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.