SCHEMBL7478192

SCHEMBL7478192

c1cc2c3c(c1)ncn3CCNC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.52
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
HTR2C P28335 11/20 0.41
HTR2A P28223 5/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL401463 0.78 DRD2 (0.50) PARP1DRD2DRD3MEN1CYP2D6
SCHEMBL405139 0.75 DRD2 (0.48) PARP1DRD2DRD3HTR2CHTR2A
SCHEMBL29407494 0.70 PARP1 (0.50) PARP1HTR2CHTR2AKDM4EMEN1
SCHEMBL19305557 0.70 PARP1 (0.50) PARP1HTR2CHTR2AKDM4EMEN1
SCHEMBL21828453 0.68 HTR2C (0.41) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL7594435 0.65 KDM4E (0.43) PARP1HTR2CHTR2AKDM4EMEN1
SCHEMBL9204124 0.64 DRD2 (0.57) PARP1DRD2DRD3HTR1A
SCHEMBL30096583 0.63 PARP1 (0.44) PARP1DRD2DRD3HTR2CHTR2A
SCHEMBL9124998 0.63 DRD2 (0.56) PARP1DRD2DRD3HTR1A
SCHEMBL19305562 0.62 HTR2C (0.42) HTR2CHTR2AKDM4EMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538297-B9 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA NV (BE) 2002-10-16 EP claimed
EP-0538297-B1 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA NV (BE) 2001-09-19 EP claimed
EP-0417840-B1 Antiviral tetrahydroimidazo [1,4]-benzodiazepines JANSSEN PHARMACEUTICA NV (BE) 1994-12-07 EP claimed
EP-0538297-A1 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA N.V. (BE) 1993-04-28 EP claimed
EP-0384522-B1 Antiviral tetrahydroimidazo[1,4]benzodiazepin-2-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1993-01-13 EP claimed
EP-0491751-A1 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-07-01 EP claimed
WO-1992000979-A1 ANTIVIRAL TETRAHYDROIMIDAZO[1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA N.V. (BE) 1992-01-23 WO claimed
WO-1991004255-A1 ANTIVIRAL TETRAHYDROIMIDAZO[1,4]BENZODIAZEPINES JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-04 WO claimed
EP-0417840-A1 Antiviral tetrahydroimidazo [1,4]-benzodiazepines JANSSEN PHARMACEUTICA N.V. (BE) 1991-03-20 EP claimed
EP-0384522-A1 Antiviral tetrahydroimidazo[1,4]benzodiazepin-2-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-29 EP claimed
EP-0538297-B9 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA NV (BE) 2002-10-16 EP disclosed
EP-0538297-B1 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA NV (BE) 2001-09-19 EP disclosed
US-6201119-B1 2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-9-AMINE COMPOUNDS USEFUL AS INTERMEDIATES TO ANTIVIRALS JANSSEN PHARMACEUTICA N.V. (BE) 2001-03-13 US disclosed
EP-0417840-B1 Antiviral tetrahydroimidazo [1,4]-benzodiazepines JANSSEN PHARMACEUTICA NV (BE) 1994-12-07 EP disclosed
US-5371079-A Administering to inhibit replication of HIV-1 in human cells JANSSEN PHARMACEUTICA N.V. (BE) 1994-12-06 US disclosed
WO-1992000979-A1 ANTIVIRAL TETRAHYDROIMIDAZO[1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA N.V. (BE) 1992-01-23 WO disclosed
WO-1991004255-A1 ANTIVIRAL TETRAHYDROIMIDAZO[1,4]BENZODIAZEPINES JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-04 WO disclosed
EP-0417840-A1 Antiviral tetrahydroimidazo [1,4]-benzodiazepines JANSSEN PHARMACEUTICA N.V. (BE) 1991-03-20 EP disclosed
EP-0384522-A1 Antiviral tetrahydroimidazo[1,4]benzodiazepin-2-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-29 EP disclosed
EP-0336466-A1 Antiviral tetrahydroimidazo (1,4) benzodiazepin-2-ones JANSSEN PHARMACEUTICA N.V. (BE) 1989-10-11 EP disclosed