SCHEMBL16640894

SCHEMBL16640894

Cn1cncc1-c1ccc2nc(-c3nccn3C)c(Cc3ccccc3)c(Cl)c2c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.44
CDC7 O00311 1/20 0.40
IDO1 P14902 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 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
SCHEMBL16640895 0.83 RORC (0.48) RORCIDO1CCNCCDK8GSK3B
SCHEMBL21574709 0.81 KDM4E (0.45) RORCCDC7
SCHEMBL16640902 0.80 RORC (0.56) RORC
SCHEMBL16639574 0.78 RORC (0.63) RORC
SCHEMBL16632669 0.75 RORC (0.74) RORC
SCHEMBL16640901 0.74 RORC (0.55) RORC
SCHEMBL16640893 0.72 RORC (0.68) RORC
SCHEMBL16640786 0.72 RORC (0.64) RORC
SCHEMBL17955701 0.70 RORC (0.59) RORCIDO1
SCHEMBL16640891 0.70 MAPK1 (0.41) RORCCCNCCDK8GSK3BDYRK1A

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 1/4885CDC7 2896/4885IDO1 678/4885

“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.