SCHEMBL1999096

SCHEMBL1999096

Nc1cc(Cl)c(Cc2cc3ccccc3cn2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.44
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE10A Q9Y233 3/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
ASIC3 Q9UHC3 1/20 0.35
PLAU P00749 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
IDH1 O75874 1/20 0.33
MDM2 Q00987 1/20 0.33
NPY5R Q15761 1/20 0.33
SYK P43405 1/20 0.33
BCL6 P41182 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL1998748 0.79 ALDH1A1 (0.42) ATML3MBTL1PDE10ACYP1A2MEN1
SCHEMBL3119753 0.76 PDE10A (0.48) PDPK1ATML3MBTL1PDE10ACYP1A2
SCHEMBL1996795 0.75 NCF1 (0.42) PDE10ACYP1A2MEN1KMT2AALDH1A1
SCHEMBL3129580 0.73 SLC6A2 (0.44) ATML3MBTL1PDE10ANPY5RALDH1A1
SCHEMBL1996268 0.73 PDE10A (0.46) PDE10ACYP1A2
SCHEMBL17664092 0.72 HSP90AB1 (0.47) PDPK1ATML3MBTL1PDE10ACYP1A2
SCHEMBL3121339 0.71 HTR2B (0.50) PDPK1ATML3MBTL1PDE10ACYP1A2
SCHEMBL3639574 0.70 PDPK1 (0.54) PDPK1ATML3MBTL1PDE10ACYP1A2
SCHEMBL2908675 0.70 L3MBTL1 (0.51) PDPK1ATML3MBTL1PDE10ACYP1A2
SCHEMBL17664090 0.70 NPC1 (0.40) PDPK1ATML3MBTL1PDE10ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
US-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 US disclosed
US-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 US disclosed
US-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 US disclosed
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 US disclosed
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 US disclosed
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 US disclosed
EP-1296967-B1 BENZOTHIAZOLYL PPAR-GAMMA MODULATORS AMGEN INC (US) 2006-05-31 EP disclosed
US-20040176409-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC 2004-09-09 US disclosed
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC. 2003-09-11 US disclosed
US-6583157-B2 Peroxisome proliferator-activated receptors antagonists; antiinflammatory agents and treating metabolic disorders TULARIK INC. 2003-06-24 US disclosed
EP-1296967-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS Tularik Inc. (US) 2003-04-02 EP disclosed
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. 2002-11-14 US disclosed
WO-2002000633-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS TULARIK INC. (US) 2002-01-03 WO 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-20040176409-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD PDPK1 239/4885ATM 2690/4885L3MBTL1 3621/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD PDPK1 239/4885ATM 2690/4885L3MBTL1 3621/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD PDPK1 239/4885ATM 2690/4885L3MBTL1 3621/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD PDPK1 306/4885ATM 2251/4885L3MBTL1 3303/4885

“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.