SCHEMBL4382931

SCHEMBL4382931

O=C(O)N[C@H]1CC[C@H](Nc2nc(Cl)ncc2C2CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
ADORA3 P0DMS8 7/20 0.37
ADORA1 P30542 4/20 0.37
ADORA2A P29274 3/20 0.37
AXL P30530 1/20 0.37
ADRA2A P08913 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
MCHR1 Q99705 1/20 0.35
HCAR3 P49019 1/20 0.35
SYK P43405 3/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
GAS6 Q14393 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CSNK2A1 P68400 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL4382928 1.00 KMT2A (0.44) KMT2AADORA3ADORA1ADORA2AAXL
SCHEMBL27087854 0.87 KMT2A (0.54) KMT2AADORA3ADORA1ADORA2AAXL
SCHEMBL4378862 0.83 KMT2A (0.45) KMT2AADORA3ADORA1ADORA2AAXL
SCHEMBL4382951 0.83 KMT2A (0.66) KMT2AADORA3ADORA1ADORA2AAXL
SCHEMBL4382954 0.83 KMT2A (0.66) KMT2AADORA3ADORA1ADORA2AAXL
SCHEMBL4378859 0.83 KMT2A (0.45) KMT2AADORA3ADORA1ADORA2AAXL
SCHEMBL19666573 0.81 PIN1 (0.50) KMT2AHCAR3
SCHEMBL19666575 0.81 PIN1 (0.50) KMT2AHCAR3
SCHEMBL12083009 0.80 ALDH1A1 (0.53) ADORA1ADORA2ASYK
SCHEMBL30800578 0.77 KMT2A (0.66) KMT2AADORA3ADORA1ADORA2AAXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 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-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 KMT2A 1671/4885ADORA3 3809/4885ADORA1 3950/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 KMT2A 1671/4885ADORA3 3809/4885ADORA1 3950/4885

“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.