SCHEMBL16645291

SCHEMBL16645291

COCCOc1nc2ccc(-c3cncn3C)cc2c(Cl)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.49
IDO1 P14902 1/20 0.43
HPGDS O60760 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL16645219 0.88 RORC (0.61) RORCIDO1HPGDS
SCHEMBL17955701 0.81 RORC (0.59) RORCIDO1HPGDS
SCHEMBL16641721 0.79 RORC (0.81) RORC
SCHEMBL16654001 0.78 RORC (0.55) RORCHPGDS
SCHEMBL16632072 0.76 RORC (0.79) RORC
SCHEMBL16640902 0.76 RORC (0.56) RORC
SCHEMBL16461259 0.76 RORC (0.53) RORC
SCHEMBL16460450 0.76 RORC (0.51) RORC
SCHEMBL16662483 0.76 RORC (0.52) RORCIDO1
SCHEMBL16462345 0.75 RORC (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat JANSSEN PHARMACEUTICA NV (BE) 2016-09-29 US disclosed
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 (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-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat RORC, RORB, RORA RORC 1/4885IDO1 580/4885HPGDS 612/4885
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB RORC 1/4885IDO1 424/4885HPGDS 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.