SCHEMBL16640866

SCHEMBL16640866

CCc1nc2ccc(-c3cnc(C)n3C)cc2c(C#N)c1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.51
TP53 P04637 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 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
SCHEMBL16640823 0.87 RORC (0.66) RORC
SCHEMBL16640834 0.87 RORC (0.55) RORCTP53GAAMAPTPOLB
SCHEMBL16640765 0.85 RORC (0.70) RORC
SCHEMBL16639556 0.81 RORC (0.65) RORC
SCHEMBL16639452 0.79 RORC (0.62) RORC
SCHEMBL16640882 0.78 RORC (0.56) RORC
SCHEMBL16640839 0.76 RORC (0.73) RORC
SCHEMBL21574602 0.73 RORC (0.47) RORC
SCHEMBL21574763 0.73 RORC (0.47) RORC
SCHEMBL16633003 0.72 RORC (0.88) 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 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 1/4885TP53 2415/4885GAA 3374/4885

“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.