SCHEMBL16645262

SCHEMBL16645262

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 13/20 0.41
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
CNR1 P21554 1/20 0.39
NR2F2 P24468 1/20 0.39
CNR2 P34972 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
ENPP1 P22413 1/20 0.38
CCNE2 O96020 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
ESRRB O95718 1/20 0.36

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
SCHEMBL16645170 0.80 RORC (0.52) RORCMAPTCCNE2CDK1CCNB1
SCHEMBL16645241 0.78 ESR1 (0.48) RORCMEN1MAPTKMT2AESR1
SCHEMBL16645288 0.75 RORC (0.56) RORCESR1ESR2ESRRBESRRA
SCHEMBL16641762 0.74 RORC (0.80) RORC
SCHEMBL14916792 0.74 FABP4 (0.59)
SCHEMBL18222177 0.72 FABP4 (0.46)
SCHEMBL16641764 0.72 RORC (0.82) RORC
SCHEMBL19064411 0.70 RORC (0.59) RORC
SCHEMBL16645260 0.69 ESR1 (0.42) RORCESR1ESR2ESRRBESRRA
SCHEMBL14916750 0.69 CSF1R (0.53) MEN1MAPTKMT2A

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 1/4885MEN1 4518/4885MAPT 1133/4885
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB RORC 1/4885MEN1 4667/4885MAPT 1938/4885

“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.