SCHEMBL16640895

SCHEMBL16640895

Cn1cc(-c2nc3ccc(-c4cncn4C)cc3c(Cl)c2Cc2ccccc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.48
TTK P33981 4/20 0.46
MAPK1 P28482 1/20 0.43
GPR39 O43194 1/20 0.41
GSK3B P49841 2/20 0.41
DYRK1A Q13627 2/20 0.41
IDO1 P14902 1/20 0.40
PRMT5 O14744 2/20 0.39
AXL P30530 1/20 0.39
WDR77 Q9BQA1 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38

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
SCHEMBL16640891 0.86 MAPK1 (0.41) RORCTTKMAPK1GPR39GSK3B
SCHEMBL16640894 0.83 RORC (0.44) RORCGSK3BDYRK1AIDO1CCNC
SCHEMBL16640902 0.81 RORC (0.56) RORC
SCHEMBL16639573 0.77 RORC (0.62) RORC
SCHEMBL16632887 0.75 RORC (0.74) RORC
SCHEMBL16640786 0.73 RORC (0.64) RORC
SCHEMBL16640901 0.73 RORC (0.55) RORC
SCHEMBL16640893 0.72 RORC (0.68) RORC
SCHEMBL17955701 0.71 RORC (0.59) RORCIDO1
SCHEMBL16640804 0.70 RORC (0.67) 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 RORC 1/4885TTK 3746/4885MAPK1 3548/4885

“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.