SCHEMBL5008048

SCHEMBL5008048

COc1ccc(C2CNC(=O)c3cccc4[nH]cc2c34)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.45
PARP1 P09874 5/20 0.44
PLK4 O00444 1/20 0.42
AURKA O14965 1/20 0.42
NUAK1 O60285 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
AURKB Q96GD4 1/20 0.42
CYP19A1 P11511 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TNKS2 Q9H2K2 2/20 0.39
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
SCHEMBL12750782 0.87 PARP1 (0.47) PARP1CYP19A1MAPTMEN1KMT2A
SCHEMBL5008096 0.85 PARP1 (0.50) JAK2PARP1MEN1LMNAKMT2A
SCHEMBL12750548 0.84 PARP1 (0.47) JAK2PARP1CYP19A1IDO1
SCHEMBL12750552 0.84 PARP1 (0.47) JAK2PARP1CYP19A1HTR2AHTR2C
SCHEMBL14084855 0.84 PARP1 (0.47) JAK2PARP1MAPTMEN1USP2
SCHEMBL8798739 0.77 PARP1 (0.41) JAK2PARP1PLK4AURKANUAK1
SCHEMBL8798434 0.71 PARP1 (0.48) PARP1MAPTMEN1USP2KMT2A
SCHEMBL8801679 0.70 PARP1 (0.50) PARP1MAPTHTR2AHTR2CHTR2B
SCHEMBL8799810 0.70 PARP1 (0.50) PARP1MAPTHTR2AHTR2CHTR2B
SCHEMBL8800208 0.70 PARP1 (0.50) PARP1MAPTHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
US-7429578-B2 Tricyclic inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-7429578-B2 Tricyclic inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-7429578-B2 Tricyclic inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-20060009517-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMACEUTICALS, INC. 2006-01-12 US disclosed
US-6977298-B2 Tricyclic inhibitors of poly(ADP-ribose) polymerases Agouron Pharmacetucals, Inc. (US) 2005-12-20 US disclosed
US-20050085460-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMACEUTICALS, INC. 2005-04-21 US 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
EP-1140936-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2001-10-10 EP disclosed
WO-2000042040-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2000-07-20 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-20060009517-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases PARP1, PARP2, PARP11 JAK2 3881/4885PARP1 1/4885PLK4 1011/4885
US-20050085460-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases PARP1, PARP2, PARP11 JAK2 3881/4885PARP1 1/4885PLK4 1011/4885
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR PARP3, PARP1, PARP4 JAK2 2358/4885PARP1 2/4885PLK4 1754/4885
US-20030078254-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases PARP1, PARP11, PARP2 JAK2 3846/4885PARP1 1/4885PLK4 1099/4885

“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.