SCHEMBL16645289

SCHEMBL16645289

N#Cc1nc2ccc(O)cc2c(C#N)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.48
ESR1 P03372 5/20 0.46
ESR2 Q92731 5/20 0.46
ESRRB O95718 4/20 0.46
ESRRA P11474 4/20 0.46
ADORA1 P30542 6/20 0.44
ADORA2A P29274 4/20 0.44
ADORA2B P29275 1/20 0.44
MEN1 O00255 1/20 0.43
PIM1 P11309 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM5B Q9UGL1 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL16653779 0.82 ALDH1A1 (0.61) RORCESR1ESR2ADORA1ADORA2A
SCHEMBL3897673 0.80 ADORA1 (0.54) ESR1ESR2ESRRBESRRAADORA1
SCHEMBL3907064 0.75 PARP1 (0.42) ESR1ESR2ESRRBESRRAADORA1
SCHEMBL3906128 0.74 DPP4 (0.43) ESR1ESR2ESRRBESRRAADORA1
SCHEMBL3901308 0.73 DPP4 (0.44) ESR1ESR2ESRRBESRRAADORA1
SCHEMBL3893950 0.72 ESRRB (0.41) ESR1ESR2ESRRBESRRAADORA1
SCHEMBL3895920 0.72 ADORA1 (0.40) ESR1ESR2ESRRBESRRAADORA1
SCHEMBL3895581 0.72 DPP4 (0.45) ESR1ESR2ESRRBESRRAADORA1
SCHEMBL3893249 0.71 KDM4E (0.41) ESR1ESR2ESRRBESRRAADORA1
SCHEMBL3896592 0.71 DPP4 (0.46) ESR1ESR2ESRRBESRRAADORA1

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.