SCHEMBL16640891

SCHEMBL16640891

Cn1cc(-c2nc3ccc(-c4cncn4C)cc3c(C#N)c2Cc2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
RORC P51449 6/20 0.40
GPR39 O43194 1/20 0.39
TTK P33981 3/20 0.39
AXL P30530 1/20 0.37
GSK3B P49841 2/20 0.37
DYRK1A Q13627 2/20 0.37
SCN2A Q99250 1/20 0.37
CECR2 Q9BXF3 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
PRMT5 O14744 2/20 0.37
WDR77 Q9BQA1 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1G2 P78368 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36

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
SCHEMBL16640895 0.86 RORC (0.48) MAPK1RORCGPR39TTKAXL
SCHEMBL16633132 0.76 RORC (0.66) RORC
SCHEMBL16640827 0.72 RORC (0.53) RORC
SCHEMBL16640902 0.69 RORC (0.56) RORC
SCHEMBL16645218 0.67 RORC (0.50) RORC
SCHEMBL3680985 0.65 FGFR3 (0.62) MAPK1TTKGSK3BDYRK1A
SCHEMBL16640808 0.65 RORC (0.69) RORC
SCHEMBL16639573 0.65 RORC (0.62) RORC
SCHEMBL16640901 0.62 RORC (0.55) RORC
SCHEMBL16640786 0.62 RORC (0.64) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 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-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB MAPK1 3548/4885RORC 1/4885GPR39 71/4885

“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.