SCHEMBL16632885

SCHEMBL16632885

Cc1ncc(C(=O)C2CCOCC2)n1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT5 Q92993 1/20 0.37
PDE1B Q01064 1/20 0.36
PIK3CA P42336 2/20 0.36
AKT1 P31749 1/20 0.36
MTOR P42345 1/20 0.36
GSK3B P49841 5/20 0.36
DYRK1A Q13627 5/20 0.36
WNT1 P04628 3/20 0.36
CNR2 P34972 2/20 0.35
RIPK1 Q13546 2/20 0.35
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
F12 P00748 1/20 0.33
PIK3CD O00329 2/20 0.33
PIK3R1 P27986 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL16651114 0.76 GSK3B (0.33) GSK3BDYRK1AWNT1
SCHEMBL16655457 0.75 ATM (0.32) GSK3BDYRK1AWNT1PIK3CD
SCHEMBL16632685 0.74 CNR2 (0.38) PIK3CAAKT1MTORGSK3BDYRK1A
SCHEMBL16633167 0.74 RBP4 (0.38) PIK3CAAKT1MTORGSK3BDYRK1A
SCHEMBL16632983 0.70 ALOX15 (0.38) GSK3BDYRK1AWNT1MAPK1ALDH1A1
SCHEMBL4251774 0.70 JAK2 (0.39) PIK3CAAKT1MTORALDH1A1
SCHEMBL16652303 0.70 PIK3CD (0.44) PIK3CD
SCHEMBL7996974 0.69 KMT2A (0.38) GSK3BDYRK1AMAPK1MAPTALDH1A1
SCHEMBL1204351 0.69 ALDH1A1 (0.36) GSK3BDYRK1AWNT1MAPK1ALDH1A1
SCHEMBL16462782 0.69 WNT1 (0.47) PIK3CAAKT1MTORGSK3BDYRK1A

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 22 patents — showing the first 20. 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-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-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-20170182056-A1 QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-06-29 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
US-9624225-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-04-18 US disclosed
US-9624225-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-04-18 US 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
US-20150111870-A1 QUINOLINYL MODULATORS OF RORyt JOHNSON & JOHNSON (US) 2015-04-23 US disclosed
US-20150111870-A1 QUINOLINYL MODULATORS OF RORyt JOHNSON & JOHNSON (US) 2015-04-23 US disclosed
WO-2015057205-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO disclosed
US-20150111870-A1 QUINOLINYL MODULATORS OF RORyt JOHNSON & JOHNSON (US) 2015-04-23 US disclosed
WO-2015057626-A1 QUINOLINYL MODULATORS OF RORyT 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
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 (4 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 KAT5 2845/4885PDE1B 3457/4885PIK3CA 3647/4885
US-20150111870-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB KAT5 3014/4885PDE1B 2639/4885PIK3CA 3193/4885
US-10201546-B2 Quinolinyl modulators of RORγt RORC, RORB, RORA KAT5 3038/4885PDE1B 2212/4885PIK3CA 2866/4885
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB KAT5 3014/4885PDE1B 2639/4885PIK3CA 3193/4885

“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.