SCHEMBL2123501

SCHEMBL2123501

CCCCCc1c[nH]nc1-c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C9 P11712 1/20 0.47
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TLR8 Q9NR97 1/20 0.40
IDO1 P14902 2/20 0.39
LRRK2 Q5S007 1/20 0.39
MAP2K4 P45985 1/20 0.39
CYP2A6 P11509 2/20 0.39
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 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
SCHEMBL2123894 0.96 CYP3A4 (0.48) PPARATDP1L3MBTL1CYP3A4CYP2C19
SCHEMBL5584092 0.84 GPR84 (0.49) CYP2C19CYP2C9CNR1CNR2TLR8
SCHEMBL2125444 0.80 CYP3A4 (0.52) PPARATDP1L3MBTL1CYP3A4CYP2C19
SCHEMBL2125405 0.78 CYP2C9 (0.57) L3MBTL1CYP3A4CYP2C19CYP2D6CYP19A1
SCHEMBL2123555 0.77 CYP3A4 (0.44) PPARATDP1L3MBTL1CYP3A4CYP2C19
SCHEMBL16772840 0.77 CHRNB2 (0.39) TDP1CYP3A4CYP2C19CYP2D6CYP19A1
SCHEMBL2122612 0.76 CYP3A4 (0.43) PPARATDP1L3MBTL1CYP3A4CYP2C19
SCHEMBL2124589 0.76 CYP3A4 (0.45) PPARATDP1L3MBTL1CYP3A4CYP2C19
SCHEMBL2125836 0.76 CYP3A4 (0.42) PPARATDP1L3MBTL1CYP3A4CYP2C19
SCHEMBL2614209 0.75 PPARA (0.56) PPARATDP1L3MBTL1CYP3A4CYP2C19

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735388-B2 Heterocyclic compounds with affinity to muscarinic receptors ABBVIE B.V. (NL) 2014-05-27 US disclosed
US-8735388-B2 Heterocyclic compounds with affinity to muscarinic receptors ABBVIE B.V. (NL) 2014-05-27 US disclosed
US-20140080861-A1 HETEROCYCLIC COMPOUNDS IWTH AFFINITY TO MUSCARINIC RECEPTORS ABBVIE B.V.A (NL) 2014-03-20 US disclosed
US-20140080861-A1 HETEROCYCLIC COMPOUNDS IWTH AFFINITY TO MUSCARINIC RECEPTORS ABBVIE B.V.A (NL) 2014-03-20 US disclosed
US-8586606-B2 Heterocyclic compounds with affinity to muscarinic receptors ABBVIE B.V. (NL) 2013-11-19 US disclosed
US-20120095039-A1 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS SOLVAY PHARMACEUTICALS B.V. 2012-04-19 US disclosed
US-20120095039-A1 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS SOLVAY PHARMACEUTICALS B.V. 2012-04-19 US disclosed
US-8084473-B2 Heterocyclic compounds with affinity to muscarinic receptors SOLVAY PHARMACEUTICALS B.V. (NL) 2011-12-27 US disclosed
EP-2150543-A2 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS Solvay Pharmaceuticals B.V. (NL) 2010-02-10 EP disclosed
US-20090018160-A1 Heterocyclic Compounds with Affinity to Muscarinic Receptors ABBVIE B.V. (NL) 2009-01-15 US disclosed
WO-2008129054-A2 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS SOLVAY PHARMACEUTICALS B.V. (NL) 2008-10-30 WO disclosed
US-7019005-B2 3 (5)-heteroaryl substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & CO. (US) 2006-03-28 US disclosed
US-20040147579-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION 2004-07-29 US disclosed
US-6579873-B2 Treatment of inflammation, arthritis, bone disorders, respiratory system disorders PHARMACIA CORPORATION 2003-06-17 US disclosed
US-20020086869-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION 2002-07-04 US disclosed
US-6335336-B1 TREATING TUMOR NECROSIS FACTOR AND MITOGEN-ACTIVATED PROTEIN KINASE(MAP) MEDIATED DISORDERS; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS; INFLAMMATORY BOWEL DISEASE G.D. SEARLE & COMPANY 2002-01-01 US disclosed
US-6087496-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 2000-07-11 US disclosed
EP-0983260-A2 3(5)-HETEROARYL SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-03-08 EP disclosed
US-5932576-A USEFUL FOR TREATING P38 KINASE MEDIATED DISORDERS SUCH AS ATHEROSCLEROSIS, RHEUMATIOD ARTHRITIS, INFLAMMATORY BOWEL DISEASE, PSORIASIS AND OTHERS G. D. SEARLE & COMPANY (US) 1999-08-03 US disclosed
WO-1998052937-A2 4-ARYL-3(5)-HETEROARYL SUBSTITUTED PYRAZOLES AS P38 KINASE G.D. SEARLE AND CO. (US) 1998-11-26 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 (5 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-20120095039-A1 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS CHRM3, CHRM5, CHRM2 PPARA 379/4885TDP1 4116/4885L3MBTL1 4650/4885
US-20140080861-A1 HETEROCYCLIC COMPOUNDS IWTH AFFINITY TO MUSCARINIC RECEPTORS CHRM3, CHRM4, CHRM5 PPARA 425/4885TDP1 4775/4885L3MBTL1 4637/4885
US-20040147579-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors MAPK1, MAPKAPK2, MAPK3 PPARA 809/4885TDP1 1727/4885L3MBTL1 2255/4885
US-20020086869-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors MAPK1, MAPKAPK2, MAPK3 PPARA 809/4885TDP1 1727/4885L3MBTL1 2255/4885
US-20090018160-A1 Heterocyclic Compounds with Affinity to Muscarinic Receptors CHRM3, CHRM2, CHRM1 PPARA 932/4885TDP1 4464/4885L3MBTL1 1966/4885

“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.