SCHEMBL4468086

SCHEMBL4468086

N#Cc1cccc(N2CCCCC2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.72
DRD3 P35462 2/20 0.72
NOTUM Q6P988 2/20 0.52
ALOX5 P09917 1/20 0.51
C1S P09871 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
NSD2 O96028 1/20 0.46
MLYCD O95822 1/20 0.46
SLC2A1 P11166 1/20 0.46
SLC2A2 P11168 1/20 0.46
SLC2A3 P11169 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DHFR P00374 1/20 0.45
GRM5 P41594 1/20 0.44

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
SCHEMBL3537217 0.98 DRD2 (0.74) DRD2DRD3NOTUMALOX5C1S
SCHEMBL29809089 0.98 DRD2 (0.74) DRD2DRD3NOTUMALOX5C1S
SCHEMBL15800697 0.90 DRD2 (0.79) DRD2DRD3NOTUMALOX5C1S
SCHEMBL28017895 0.89 DRD2 (0.62) DRD2DRD3NOTUMALOX5C1S
SCHEMBL20159295 0.85 DRD2 (0.88) DRD2DRD3NOTUMALOX5ALDH1A1
Hydrochloric Acid SCHEMBL20141804 0.84 DRD2 (0.85) DRD2DRD3NOTUMALOX5ALDH1A1
SCHEMBL30855584 0.84 DRD2 (1.00) DRD2DRD3NOTUMALOX5ALDH1A1
SCHEMBL249732 0.84 DRD2 (1.00) DRD2DRD3NOTUMALOX5ALDH1A1
SCHEMBL2729148 0.84 DRD2 (0.70) DRD2DRD3NOTUMALOX5C1S
SCHEMBL21360372 0.82 DRD2 (0.59) DRD2DRD3NOTUMALOX5C1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110520127-A Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 TAKEDA PHARMACEUTICALS CO 2019-11-29 CN disclosed
US-9605002-B2 5,5-heteroaromatic anti-infective compounds UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-03-28 US disclosed
US-20150210715-A1 5,5-HETEROAROMATIC ANTI-INFECTIVE COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC 2015-07-30 US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 US disclosed
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 US disclosed
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 US disclosed
US-6956037-B2 Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRAZENECA AB (SE) 2005-10-18 US disclosed
EP-1077931-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-17 EP disclosed
US-20030212068-A1 Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRAZENECA AB 2003-11-13 US disclosed
US-6579872-B1 Such as TNF, in particular of TNF alpha, and various interleukins, in particular IL-1; N-(5-(4-(3-hydroxypropoxy)benzamido)-2-methylphenyl)-3,4-dimethoxybenzamide ASTRAZENECA AB (SE) 2003-06-17 US disclosed
US-20020193389-A1 Method of inhibiting neoplastic cells with imidazoquinazoline derivatives OSI PHARMACEUTICALS, INC. 2002-12-19 US disclosed
EP-1077931-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP disclosed
US-6127541-A 8-((DISUBSTITUTED AMINO)BENZYLAMINO)-2,3-DIHYDRO-1H-IMIDAZO(4,5-G)QUINAZOLINE-(2-THIONE OR 2-ONE); SELECTIVE CYCLIC GUANOSINE 3',5' MONOPHOSPHATE (CGMP)--SPECIFIC PHOSPHODIESTERASE (PDE) INHIBITORY ACTIVITY KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-10-03 US disclosed
WO-1999059959-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 WO disclosed
EP-0863144-A1 IMIDAZOQUINAZOLINE DERIVATIVES Kyowa Hakko Co., Ltd. (JP) 1998-09-09 EP 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 (6 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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH DRD2 2565/4885DRD3 2747/4885NOTUM 2754/4885
US-20030212068-A1 Benzamide derivatives for the treatment of diseases mediated by cytokines IL2, IL6, IL6ST DRD2 2495/4885DRD3 2662/4885NOTUM 3454/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH DRD2 2565/4885DRD3 2747/4885NOTUM 2754/4885
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta PRKCQ, PRKCZ, PRKAR2B DRD2 2218/4885DRD3 2712/4885NOTUM 2650/4885
US-20150210715-A1 5,5-HETEROAROMATIC ANTI-INFECTIVE COMPOUNDS API5, CASP5, IL5 DRD2 2601/4885DRD3 2069/4885NOTUM 1826/4885
US-20020193389-A1 Method of inhibiting neoplastic cells with imidazoquinazoline derivatives MKI67, HRAS, VHL DRD2 4819/4885DRD3 4745/4885NOTUM 2774/4885

“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.