SCHEMBL16645288

SCHEMBL16645288

Oc1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 16/20 0.56
ESR1 P03372 3/20 0.47
ESR2 Q92731 3/20 0.47
ESRRB O95718 1/20 0.46
ESRRA P11474 1/20 0.46

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
SCHEMBL16479373 0.83 ESR1 (0.43) RORCESR1ESR2ESRRBESRRA
SCHEMBL16645240 0.81 PDE4B (0.47) RORCESR1ESR2ESRRBESRRA
SCHEMBL16645260 0.81 ESR1 (0.42) RORCESR1ESR2ESRRBESRRA
SCHEMBL16645170 0.81 RORC (0.52) RORCESR1ESR2ESRRBESRRA
SCHEMBL2720125 0.81 RORC (0.53) RORC
SCHEMBL15646540 0.81 RORC (0.53) RORC
SCHEMBL14105877 0.79 MAOA (0.59) RORCESR1ESR2
SCHEMBL16633077 0.76 RORC (0.49) RORC
SCHEMBL16474154 0.75 RORC (0.92) RORC
SCHEMBL16645262 0.75 RORC (0.41) RORCESR1ESR2ESRRBESRRA

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 1/4885ESR1 1296/4885ESR2 427/4885
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB RORC 1/4885ESR1 1297/4885ESR2 653/4885

“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.