SCHEMBL4370028

SCHEMBL4370028

CCc1nc2c(C)ccnc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 2/20 0.41
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
DDAH1 O94760 1/20 0.37
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
PARP1 P09874 1/20 0.34
PARP14 Q460N5 1/20 0.34
PARP11 Q9NR21 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
ACVR1 Q04771 2/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33

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
SCHEMBL4370037 0.86 NOS2 (0.41) NOS3NOS2CCR1CCR5CCR8
SCHEMBL7832083 0.84 KDM4E (0.36) CCR1CCR5CCR8PARP1PARP14
SCHEMBL28836229 0.84 CCR1 (0.34) NOS3NOS2CCR1CCR5CCR8
SCHEMBL8875881 0.83 GSK3B (0.44) ALDH1A1PARP1CDK1CDK2MAPK8
Hydrochloric Acid SCHEMBL28836198 0.83 CYP1A2 (0.35) NOS3NOS2CCR1CCR5CCR8
SCHEMBL1056828 0.82 ADORA3 (0.41) ADORA1ADORA3ADORA2ADDAH1L3MBTL1
SCHEMBL3950341 0.81 GSK3B (0.38) ADORA1ADORA3ADORA2ACCR1CCR5
SCHEMBL4371769 0.81 GAA (0.41) ADORA1ADORA3ADORA2ADDAH1L3MBTL1
SCHEMBL6317646 0.80 LRRK2 (0.33) CCR1CCR5CCR8L3MBTL1ALDH1A1
SCHEMBL8214129 0.79 CCNB2 (0.40) PARP14CDK1GSK3AGSK3B

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
EP-1988091-B1 TRICYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2015-06-10 EP disclosed
US-8507484-B2 Preventive and/or therapeutic agent for neutrophilic inflammatory diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-08-13 US disclosed
US-8242151-B2 Tricyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-14 US disclosed
US-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2010-02-04 US disclosed
US-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2010-02-04 US disclosed
US-20090176760-A1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-09 US disclosed
EP-1988091-A1 TRICYCLIC COMPOUNDS Kyowa Hakko Kogyo Co., Ltd (JP) 2008-11-05 EP disclosed
WO-2008084303-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARY ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2008-07-17 WO disclosed
US-7312229-B2 21-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-12-25 US disclosed
US-20070213361-A1 Preventive and/or therapeutic agent for neutrophilic inflammatory diseases KYOWA KIRIN CO., LTD. (JP) 2007-09-13 US disclosed
US-5635525-A DIAGNOSTICS HOECHST AKTIENGESELLSCHAFT (DE) 1997-06-03 US disclosed
EP-0690859-A1 BENZYLIMIDAZOPYRIDINE DERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS PFIZER INC. (US) 1996-01-10 EP disclosed
US-5444068-A Imidazopyridine derivatives as angiotensin II receptor antagonists, pharmaceuticals, and treatment of hypertension therewith HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-22 US disclosed
WO-1994020499-A1 BENZYLIMIDAZOPYRIDINE DERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS PFIZER INC. (US) 1994-09-15 WO disclosed
US-5338740-A Angiotensin II receptor antagonists PFIZER INC. (US) 1994-08-16 US disclosed
US-5317023-A 2-Phenyl-(imidazo(4,5-b)pyridyl-methyl-) derivatives; hypertensive agents; cognition activators GLAXO GROUP LIMITED (GB) 1994-05-31 US disclosed
WO-1994011369-A1 ANTIHYPERTENSIVE 5-[(IMIDAZO[4,5-b]PYRIDIN-3-YL)METHYL]BENZOFURAN DERIVATIVES GLAXO GROUP LIMITED (GB) 1994-05-26 WO disclosed
EP-0533058-A1 Imidazo-fused iso- and heterocycles as angiotensin II antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-24 EP disclosed
WO-1992020679-A1 BENZOFURAN DERIVATIVES GLAXO GROUP LIMITED (GB) 1992-11-26 WO disclosed
EP-0514197-A1 Anti-hypertensive benzofuran derivatives substituted by N-imidazolyl-methyl groups which are condensed with optionally nitrogen containing, six-membered rings GLAXO GROUP LIMITED (GB) 1992-11-19 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 (3 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-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES AGTR2, AGTR1, AGT ADORA1 1622/4885ADORA3 1465/4885ADORA2A 699/4885
US-20090176760-A1 TRICYCLIC COMPOUNDS PPARG, PPARD, PPARA ADORA1 890/4885ADORA3 440/4885ADORA2A 940/4885
US-20070213361-A1 Preventive and/or therapeutic agent for neutrophilic inflammatory diseases MPO, MSR1, NR4A3 ADORA1 146/4885ADORA3 57/4885ADORA2A 280/4885

“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.