SCHEMBL743601

SCHEMBL743601

O=C1NCc2c[nH]c3cccc1c23

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 1.00
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
AURKA O14965 2/20 0.44
KDR P35968 2/20 0.44
CLK4 Q9HAZ1 3/20 0.42
DYRK1B Q9Y463 3/20 0.42
PIM1 P11309 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK5 Q00535 1/20 0.42
ROCK1 Q13464 1/20 0.42
DYRK1A Q13627 1/20 0.42
LRRK2 Q5S007 1/20 0.42
HTR3A P46098 2/20 0.41
TYRO3 Q06418 1/20 0.39
NTRK2 Q16620 1/20 0.39
FYN P06241 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 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
SCHEMBL29687934 0.83 PARP1 (1.00) PARP1HTR3A
SCHEMBL742407 0.83 PARP1 (1.00) PARP1HTR3A
SCHEMBL12750325 0.81 PARP1 (0.69) PARP1CA12CA9AURKAKDR
SCHEMBL13475834 0.79 PARP1 (0.65) PARP1CA12CA9AURKAKDR
Phosphoric Acid SCHEMBL29456911 0.77 PARP1 (0.86) PARP1HTR3A
SCHEMBL22300798 0.76 PARP1 (0.60) PARP1HTR3AKDM4EMEN1USP2
SCHEMBL261487 0.74 PARP1 (0.64) PARP1HTR3AKDM4EMEN1USP2
SCHEMBL29688203 0.73 PARP1 (1.00) PARP1CA12CA9AURKAKDR
SCHEMBL832168 0.73 PARP1 (1.00) PARP1CA12CA9AURKAKDR
SCHEMBL11242694 0.71 PARP1 (0.60) PARP1HTR3AKDM4EMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO claimed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US claimed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
EP-2134714-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY Biovitrum AB (publ) (SE) 2009-12-23 EP disclosed
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO disclosed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
WO-2008110598-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY BIOVITRUM AB (PUBL) (SE) 2008-09-18 WO disclosed
EP-1140936-B1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMA (US) 2004-03-17 EP disclosed
US-20030078254-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases WEBBER STEPHEN EVAN (US) 2003-04-24 US disclosed
US-6495541-B1 POTENTIATION OF ANTICANCER THERAPIES AND INHIBITION OF NEUROTOXICITY CONSEQUENT TO STROKE, HEAD TRAUMA, AND NEURO-DEGENERATIVE DISEASES; SUCH AS 2-BROMO-3,4-DIHYDROPYRROLO-(4,3,2-DE)ISOGUINOLIN-5-ONE AGOURON PHARMACEUTICALS, INC. 2002-12-17 US disclosed
US-20020160984-A1 Fused tricyclic compounds, methods and compositions for inhibiting parp activity GUILFORD PHARMACEUTICALS INC. 2002-10-31 US disclosed
US-6380193-B1 POLY(ADENOSINE 5'-DIPHOSPHO-RIBOSE)POLYMERASE; TREATMENT OR PREVENTION OF NEUROLOGICAL AND NEURODEGENERATIVE DISEASES, VASCULAR STROKE GUILFORD PHARMACEUTICALS INC. 2002-04-30 US disclosed
US-6121278-A POLY(ADENOSINE 5'-DIPHOSPHO-RIBOSE)POLYMERASE (PARP) ENZYME INHIBITOR FOR TREATMENT OF NEUROLOGICAL DISORDERS, ARTHRITIS, DIABETES, INFLAMMATION, CARDIOVASCULAR DISORDERS, SEPTIC SHOCK, CANCER GUILFORD PHARMACEUTICALS, INC. (US) 2000-09-19 US disclosed
US-3978066-A Certain 4,6-dihydropyrrolotriazoline-quinoline derivatives AYERST, MCKENNA AND HARRISON LTD. (CA) 1976-08-31 US disclosed
US-3950343-A PYRROLOISOQUINOLINE DERIVATIVES AYERST, MCKENNA AND HARRISON LTD. (CA) 1976-04-13 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-20080293694-A1 New compounds HTR6, HTR1A, HTR1B PARP1 2147/4885CA12 4734/4885CA9 4802/4885
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye PARP1, PARP2, PARP12 PARP1 1/4885CA12 3158/4885CA9 2950/4885
US-20030078254-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases PARP1, PARP11, PARP2 PARP1 1/4885CA12 4114/4885CA9 2909/4885
US-20020160984-A1 Fused tricyclic compounds, methods and compositions for inhibiting parp activity PARP4, PARP1, PARP6 PARP1 2/4885CA12 3940/4885CA9 555/4885

“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.