SCHEMBL5001964

SCHEMBL5001964

CNCc1cccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.80
PARP2 Q9UGN5 9/20 0.80
DYRK3 O43781 1/20 0.80
TNKS O95271 1/20 0.80
PGR P06401 1/20 0.80
CDK1 P06493 1/20 0.80
ADRB1 P08588 1/20 0.80
POLA1 P09884 1/20 0.80
PIM1 P11309 1/20 0.80
SLC6A2 P23975 1/20 0.80
ADRA1A P35348 1/20 0.80
PTGS2 P35354 1/20 0.80
CDK16 Q00536 1/20 0.80
PDE4D Q08499 1/20 0.80
KCNH2 Q12809 1/20 0.80
DYRK1A Q13627 1/20 0.80
PARP15 Q460N3 1/20 0.80
PARP14 Q460N5 1/20 0.80
PARP10 Q53GL7 1/20 0.80
PIM3 Q86V86 1/20 0.80

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
Rucaparib SCHEMBL844585 0.89 PARP1 (1.00) PARP1PARP2DYRK3TNKSPGR
Rucaparib SCHEMBL29351768 0.89 PARP1 (1.00) PARP1PARP2DYRK3TNKSPGR
Rucaparib SCHEMBL29392034 0.88 PARP1 (0.98) PARP1PARP2DYRK3TNKSPGR
Rucaparib SCHEMBL5746065 0.88 PARP1 (0.98) PARP1PARP2DYRK3TNKSPGR
SCHEMBL5003154 0.88 PARP1 (0.74) PARP1PARP2DYRK3TNKSPGR
SCHEMBL22675338 0.86 PARP1 (0.65) PARP1PARP2DYRK3TNKSPGR
SCHEMBL25149880 0.85 PARP1 (0.78) PARP1PARP2DYRK3TNKSPGR
SCHEMBL30364429 0.85 PARP1 (0.78) PARP1PARP2DYRK3TNKSPGR
Rucaparib SCHEMBL844872 0.84 PARP1 (1.00) PARP1PARP2DYRK3TNKSPGR
Rucaparib SCHEMBL6701932 0.84 PARP1 (0.90) PARP1PARP2DYRK3TNKSPGR

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 PARP1 1/4885PARP2 2/4885DYRK3 4009/4885
US-20050085460-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases PARP1, PARP2, PARP11 PARP1 1/4885PARP2 2/4885DYRK3 4009/4885
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR PARP3, PARP1, PARP4 PARP1 2/4885PARP2 14/4885DYRK3 4226/4885
US-20030078254-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases PARP1, PARP11, PARP2 PARP1 1/4885PARP2 3/4885DYRK3 4237/4885

“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.