SCHEMBL2037658

SCHEMBL2037658

Cn1nc(-c2ccccc2)nc1C=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 6/20 0.58
NR1H2 P55055 5/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
KDM4C Q9H3R0 2/20 0.51
PDE10A Q9Y233 2/20 0.49
TDP2 O95551 1/20 0.48
RAF1 P04049 1/20 0.48
MAP2K1 Q02750 1/20 0.48
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 2/20 0.39
F2 P00734 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ADK P55263 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
Hydrochloric Acid SCHEMBL4465987 0.97 NR1H3 (0.54) NR1H3NR1H2NPC1RAB9AKDM4C
SCHEMBL17541738 0.83 KDM4C (0.50) NR1H3NR1H2NPC1RAB9AKDM4C
SCHEMBL12341118 0.81 KCNT1 (0.40) NR1H3NR1H2NPC1RAB9APDE10A
Hydrochloric Acid SCHEMBL4485911 0.80 KCNT1 (0.39) NR1H3NR1H2NPC1RAB9APDE10A
SCHEMBL2035121 0.79 NR1H3 (0.52) NR1H3NR1H2NPC1RAB9AKDM4C
Hydrochloric Acid SCHEMBL4490523 0.79 KCNT1 (0.39) NR1H3NR1H2NPC1RAB9APDE10A
SCHEMBL2054213 0.78 NR1H2 (0.41) NR1H3NR1H2NPC1RAB9AKDM4C
SCHEMBL2037406 0.78 NR1H3 (0.52) NR1H3NR1H2NPC1RAB9ARAF1
SCHEMBL4473830 0.77 KDM4E (0.52) NPC1RAB9AKDM4CTDP2KMT2A
SCHEMBL2038581 0.76 NR1H3 (0.43) NR1H3NR1H2NPC1RAB9AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102753550-B Heteroaromatic aryl triazole derivatives as pde10a enzyme inhibitors LUNDBECK & CO AS H 2015-03-25 CN disclosed
US-8785653-B2 (3-aryl-1H-1,2,4-triazol-5-yl)-linked heterocycle derivatives H. LUNDBECK A/S (DK) 2014-07-22 US disclosed
US-8785653-B2 (3-aryl-1H-1,2,4-triazol-5-yl)-linked heterocycle derivatives H. LUNDBECK A/S (DK) 2014-07-22 US disclosed
US-8785653-B2 (3-aryl-1H-1,2,4-triazol-5-yl)-linked heterocycle derivatives H. LUNDBECK A/S (DK) 2014-07-22 US disclosed
EP-2513106-B1 HETEROAROMATIC ARYL TRIAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS LUNDBECK & CO AS H (DK) 2013-11-06 EP disclosed
EP-2513106-B1 HETEROAROMATIC ARYL TRIAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS LUNDBECK & CO AS H (DK) 2013-11-06 EP disclosed
US-20130281459-A1 Heteroaromatic Aryl Triazole Derivatives as PDE10A Enzyme Inhibitors H. LUNDBECK A/S (DK) 2013-10-24 US disclosed
US-20130281459-A1 Heteroaromatic Aryl Triazole Derivatives as PDE10A Enzyme Inhibitors H. LUNDBECK A/S (DK) 2013-10-24 US disclosed
US-8501795-B2 (3-aryl-1H-1,2,4-triazol-5-yl)-linked heterocycle derivatives H. LUNDBECK A/S (DK) 2013-08-06 US disclosed
US-8501795-B2 (3-aryl-1H-1,2,4-triazol-5-yl)-linked heterocycle derivatives H. LUNDBECK A/S (DK) 2013-08-06 US disclosed
US-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same PFIZER INC 2009-11-12 US disclosed
US-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same PFIZER INC 2009-11-12 US disclosed
US-7576098-B2 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-18 US disclosed
US-7576098-B2 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-18 US disclosed
US-7576098-B2 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-18 US disclosed
EP-1828152-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
EP-1828152-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2007-01-18 US disclosed
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2007-01-18 US disclosed
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 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-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same RNASE1, GTF3C4, POLRMT NR1H3 224/4885NR1H2 375/4885NPC1 219/4885
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, GTF3C4, POLRMT NR1H3 224/4885NR1H2 375/4885NPC1 219/4885
US-20130281459-A1 Heteroaromatic Aryl Triazole Derivatives as PDE10A Enzyme Inhibitors PDE5A, PDE3B, PDE3A NR1H3 1663/4885NR1H2 1699/4885NPC1 1147/4885
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa TFPI, F7, HABP2 NR1H3 3348/4885NR1H2 3376/4885NPC1 3216/4885

“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.