SCHEMBL16645240

SCHEMBL16645240

COc1c(-c2ccccc2)c(Cl)nc2ccc(O)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.47
PDE4A P27815 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
ESR1 P03372 4/20 0.45
ESR2 Q92731 4/20 0.45
PLA2G2A P14555 1/20 0.43
HSD17B10 Q99714 2/20 0.43
CCNE2 O96020 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
MAPT P10636 1/20 0.43
RORC P51449 2/20 0.41
ESRRB O95718 3/20 0.41
ESRRA P11474 3/20 0.41

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
SCHEMBL16645288 0.81 RORC (0.56) ESR1ESR2RORCESRRBESRRA
SCHEMBL16645170 0.78 RORC (0.52) PDE4BPDE4APDE4CPDE4DESR1
SCHEMBL16474202 0.71 RORC (0.67) RORC
SCHEMBL16645260 0.69 ESR1 (0.42) ESR1ESR2PLA2G2AHSD17B10RORC
SCHEMBL27949867 0.69 KDM4E (0.55) HSD17B10MAPTKDM4EALDH1A1HPGD
SCHEMBL16479373 0.69 ESR1 (0.43) ESR1ESR2CDK2GSK3BCDK5
SCHEMBL4824018 0.68 KDM4E (0.55) ESR1ESR2HSD17B10MAPTRORC
SCHEMBL22919474 0.68 KMT2A (0.54) MAPTMAT2AKDM4EALDH1A1
SCHEMBL29534215 0.68 KMT2A (0.54) MAPTMAT2AKDM4EALDH1A1
SCHEMBL23674185 0.67 ESR2 (0.56) ESR1ESR2MAPTESRRBESRRA

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 PDE4B 647/4885PDE4A 658/4885PDE4C 941/4885
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB PDE4B 1156/4885PDE4A 943/4885PDE4C 1096/4885

“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.