SCHEMBL1624729

SCHEMBL1624729

CCc1nc2cc(C(F)(F)F)c(Cl)cc2n1-c1ccc(CC#N)nc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.33
AKT1 P31749 1/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
CYP1A2 P05177 1/20 0.33
PDE10A Q9Y233 1/20 0.33
OXTR P30559 2/20 0.32
NOTUM Q6P988 2/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRM2 Q14416 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
BMI1 P35226 2/20 0.30
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
PTGS2 P35354 1/20 0.30
AVPR1A P37288 1/20 0.30

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
SCHEMBL3947533 0.87 CYP1A2 (0.34) CYP1A2PDE10AOXTRNOTUMNR1H2
SCHEMBL1625742 0.85 CYP1A2 (0.33) CYP1A2PDE10AOXTRNOTUMNR1H2
SCHEMBL1625697 0.85 NOTUM (0.41) CYP1A2PDE10AOXTRNOTUMNR1H2
SCHEMBL4045631 0.83 MEN1 (0.39) CYP1A2PDE10ANOTUMNR1H2NR1H3
SCHEMBL1627533 0.80 PDPK1 (0.37) PDPK1AKT1CTSSCTSKGRM2
SCHEMBL5799639 0.79 CNR2 (0.38) CYP1A2PDE10ANOTUMNR1H2NR1H3
SCHEMBL27582749 0.78 NOTUM (0.36) CYP1A2PDE10ANOTUMNR1H2NR1H3
SCHEMBL6455998 0.76 NR1H2 (0.33) CYP1A2PDE10ANOTUMNR1H2NR1H3
SCHEMBL3950715 0.76 CNR2 (0.38) CTSSCTSKCYP1A2PDE10ANOTUM
SCHEMBL3949979 0.76 CNR2 (0.36) CYP1A2PDE10ANOTUMNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 EP claimed
US-7928119-B2 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER INC. (US) 2011-04-19 US disclosed
US-7479564-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC. (JP) 2009-01-20 US disclosed
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PFIZER INC. 2007-07-05 US disclosed
US-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PFIZER INC. 2007-03-22 US disclosed
US-7148234-B2 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER INC. (US) 2006-12-12 US disclosed
US-7141580-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2006-11-28 US disclosed
EP-1666480-A1 Aryl or Heteroaryl Fused Imidazole Compounds as intermediates for Anti-Inflammatory And Analgesic Agents. PFIZER PHARMACEUTICALS INC. (JP) 2006-06-07 EP disclosed
EP-1326864-B1 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMA (JP) 2006-03-15 EP disclosed
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2004-09-16 US disclosed
US-6710054-B2 CONTAINING SULFONYLAMINOCARBONYL GROUPS; PROSTAGLANDIN INHIBITORS PFIZER INC 2004-03-23 US disclosed
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases SHIMOJO MASATO 2003-12-25 US disclosed
US-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2002-08-08 US disclosed
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PFIZER PHARMACEUTICALS INC. (JP) 2002-06-20 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 (6 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-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 PDPK1 4792/4885AKT1 4622/4885CTSS 1882/4885
US-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PTGER4, PTGER1, IL6 PDPK1 3456/4885AKT1 4636/4885CTSS 2797/4885
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PTGER4, PTGER1, IL6 PDPK1 3456/4885AKT1 4636/4885CTSS 2797/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 PDPK1 4790/4885AKT1 4631/4885CTSS 1744/4885
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PTGS1, PTGS2, PTGES PDPK1 4729/4885AKT1 4154/4885CTSS 1265/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 PDPK1 3182/4885AKT1 3628/4885CTSS 2187/4885

“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.