SCHEMBL16652197

SCHEMBL16652197

O=C(c1ccnc(C(F)(F)F)c1)C1CN(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
JAK1 P23458 1/20 0.40
GAA P10253 1/20 0.39
VNN1 O95497 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.37
SLC6A7 Q99884 1/20 0.37

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
SCHEMBL16651835 0.83 STS (0.42) HDAC4JAK1
SCHEMBL16654222 0.83 JAK1 (0.39) JAK1VNN1LMNA
SCHEMBL16650437 0.80 CNR2 (0.41) HDAC4GAAPKM
SCHEMBL16650905 0.77 RAF1 (0.42)
SCHEMBL29427285 0.74 KDM5C (0.55) HDAC4VNN1
SCHEMBL503171 0.74 KDM5C (0.55) HDAC4VNN1
SCHEMBL17729523 0.74 HSD11B1 (0.55) GAALMNAPKM
SCHEMBL16651323 0.74 HDAC4 (0.42) HDAC4
SCHEMBL27158544 0.74 HDAC4 (0.37) HDAC4
SCHEMBL27158547 0.74 HDAC4 (0.37) HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057422-B1 QUINOLINYL MODULATORS OF ROR(GAMMA)T JANSSEN PHARMACEUTICA NV (BE) 2019-05-15 EP disclosed
US-10201546-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-02-12 US disclosed
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-06-29 US disclosed
US-9624225-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-04-18 US disclosed
EP-3057422-A1 QUINOLINYL MODULATORS OF ROR(GAMMA)T Janssen Pharmaceutica NV (BE) 2016-08-24 EP disclosed
WO-2015057626-A1 QUINOLINYL MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO disclosed
US-20150111870-A1 QUINOLINYL MODULATORS OF RORyt JOHNSON & JOHNSON (US) 2015-04-23 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-20150111870-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB HDAC4 1764/4885JAK1 1057/4885GAA 3235/4885
US-10201546-B2 Quinolinyl modulators of RORγt RORC, RORB, RORA HDAC4 1377/4885JAK1 759/4885GAA 3572/4885
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB HDAC4 1764/4885JAK1 1057/4885GAA 3235/4885

“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.