SCHEMBL16632042

SCHEMBL16632042

FC(F)(F)c1nc2ccccc2c(Cl)c1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 5/20 0.67
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
RORC P51449 2/20 0.47
ESR1 P03372 5/20 0.44
ESR2 Q92731 3/20 0.44
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 2/20 0.40
DCTPP1 Q9H773 1/20 0.39
BACE1 P56817 1/20 0.39
ENPP3 O14638 1/20 0.39
NT5E P21589 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL15647597 0.82 ENPP1 (0.54) ENPP1RORCKDM4ENT5E
SCHEMBL15647006 0.82 ENPP1 (0.54) ENPP1RORCESR1ESR2KDM4E
SCHEMBL7761646 0.80 ENPP1 (0.51) ENPP1ESR1ESR2KDM4EMAPT
SCHEMBL11105383 0.79 MAOA (0.48) ENPP1MAOAMAOBKDM4EMAPT
SCHEMBL14105877 0.77 MAOA (0.59) ENPP1MAOAMAOBRORCESR1
SCHEMBL28027243 0.77 ENPP1 (0.48) ENPP1ESR1ESR2KDM4EMAPT
SCHEMBL16633300 0.73 MAOA (0.46) ENPP1MAOAMAOBKDM4EMAPT
SCHEMBL28199808 0.72 GAA (0.50) KDM4EMAPTDCTPP1BACE1ELANE
SCHEMBL28732545 0.72 MAOA (0.44) MAOAMAOBKDM4EMAPTPOLB
SCHEMBL6833767 0.72 MAOA (0.44) ENPP1MAOAMAOBKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057950-B1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2020-12-02 EP disclosed
US-10369146-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 US disclosed
US-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat JANSSEN PHARMACEUTICA NV (BE) 2016-09-29 US disclosed
CN-105829295-A Phenyl Linked Quinolinyl Modulators Of Ror-Gamma-T 詹森药业有限公司 2016-08-03 CN 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 (3 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 ENPP1 2454/4885MAOA 3362/4885MAOB 3222/4885
US-10369146-B2 Phenyl linked quinolinyl modulators of RORγt RORC, RORB, RORA ENPP1 2445/4885MAOA 3607/4885MAOB 3447/4885
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB ENPP1 2817/4885MAOA 3526/4885MAOB 3716/4885

“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.