SCHEMBL16645218

SCHEMBL16645218

CN(CCO)c1nc2ccc(-c3cncn3C)cc2c(C#N)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.50
ADORA1 P30542 1/20 0.38
HPGDS O60760 1/20 0.35
IDO1 P14902 1/20 0.35
KDM5B Q9UGL1 1/20 0.34
GBA1 P04062 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
CHEK1 O14757 1/20 0.33
MAOB P27338 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL18102299 0.86 RORC (0.65) RORCIDO1
SCHEMBL16641763 0.80 RORC (0.76) RORC
SCHEMBL16460491 0.71 RORC (0.54) RORC
SCHEMBL16461415 0.69 RORC (0.52) RORC
SCHEMBL16460807 0.69 RORC (0.51) RORCGBA1
SCHEMBL16462063 0.69 RORC (0.51) RORC
SCHEMBL17955701 0.67 RORC (0.59) RORCHPGDSIDO1
SCHEMBL16645166 0.67 RORC (0.89) RORC
SCHEMBL16640891 0.67 MAPK1 (0.41) RORC
SCHEMBL16641766 0.67 RORC (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403816-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-08-02 US disclosed
US-20150105404-A1 PHENYL 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-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB RORC 1/4885ADORA1 566/4885HPGDS 1658/4885

“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.