SCHEMBL16633125

SCHEMBL16633125

Oc1c(Cc2ccccc2)c(C(F)(F)F)nc2ccc(Br)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.42
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.38
VKORC1 Q9BQB6 2/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
ALKBH3 Q96Q83 1/20 0.36
ESR1 P03372 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
SCHEMBL16632999 0.85 CYP1A2 (0.48) NT5ECCNCCDK8HTTSMN1; SMN2
SCHEMBL16632973 0.85 CCNC (0.38) CCNCCDK8VKORC1KMT2AKDM4E
SCHEMBL16640755 0.81 LMNA (0.41) CCNCCDK8HTTSMN1; SMN2LMNA
SCHEMBL15647912 0.77 RXFP1 (0.47) NT5EHTTSMN1; SMN2KMT2AKDM4E
SCHEMBL16460911 0.77 CYP1A2 (0.45) NT5EHTTSMN1; SMN2LMNAVKORC1
SCHEMBL16460893 0.75 RORC (0.41) NT5EHTTSMN1; SMN2LMNAVKORC1
SCHEMBL28250228 0.75 NT5E (0.41) NT5ECCNCCDK8HTTSMN1; SMN2
SCHEMBL15648541 0.72 NT5E (0.43) NT5EPIK3CDDAO
SCHEMBL25269195 0.70 DHODH (0.56) NT5EHTTSMN1; SMN2KMT2AALDH1A1
SCHEMBL31052305 0.70 DHODH (0.56) NT5EHTTSMN1; SMN2KMT2AALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057951-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 EP disclosed
EP-3057951-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2016-08-24 EP disclosed
CN-105829294-A METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T 詹森药业有限公司 2016-08-03 CN disclosed
US-9284308-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV 2016-03-15 US disclosed
US-9284308-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV 2016-03-15 US disclosed
WO-2015057205-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO disclosed
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
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 NT5E 4253/4885CCNC 1896/4885CDK8 2033/4885

“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.