SCHEMBL6068827

SCHEMBL6068827

Nc1nc(-c2nn(Cc3ccccc3)c3ncccc23)ncc1-c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
BUB1 O43683 5/20 0.42
KCNH2 Q12809 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
PDE5A O76074 2/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PRKDC P78527 1/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 1/20 0.39
MERTK Q12866 1/20 0.38
GUCY1A1 Q02108 4/20 0.38
GUCY1B1 Q02153 4/20 0.38
DYRK1A Q13627 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
SCHEMBL6068302 0.88 BUB1 (0.47) BUB1KCNH2ADORA3PDE5AGUCY1A1
Etriciguat SCHEMBL29388720 0.86 ADORA3 (0.56) BUB1KCNH2ADORA3PDE5AGUCY1A1
Etriciguat SCHEMBL419874 0.86 ADORA3 (0.56) BUB1KCNH2ADORA3PDE5AGUCY1A1
SCHEMBL6068406 0.85 BUB1 (0.48) BUB1KCNH2ADORA3PDE5AGUCY1A1
SCHEMBL6068522 0.83 ADORA3 (0.49) BUB1KCNH2ADORA3PDE5AGUCY1A1
SCHEMBL18212218 0.82 ADORA3 (0.58) KCNH2ADORA3PDE5AGUCY1A1GUCY1B1
SCHEMBL2509702 0.81 GUCY1A1 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL2508154 0.81 GUCY1A1 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL25688767 0.75 PDE5A (0.57) BUB1KCNH2ADORA3PDE5A
SCHEMBL25791771 0.74 ADORA3 (0.34) BUB1KCNH2ADORA3PDE5AGUCY1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135474-B2 Derivatives of 2-(1-benzyl-1H-pyrazolo(3,4-B)pyridine-3-yl)-5(-4-pyridinyl)l-4-pyrimidinamines and the use thereof as quanylate cyclase stimulators BAYER HEALTHCARE AG (DE) 2006-11-14 US disclosed
EP-1509228-B1 DERIVATIVES OF 2-(1-BENZYL-1H-PYRAZOLO (3, 4-B)PYRIDINE-3YL) -5-(4-PYRIDINYL)-4-PYRIMIDINE AMINE AND THE USE THEREOF AS GUANYLATE CYCLASE STIMULATORS BAYER HEALTHCARE AG (DE) 2005-12-14 EP disclosed
US-20050222170-A1 Derivatives of 2-(1-benzyl-1h-pyrazolo(3,4-b)pyridine-3-yl)- 5(-4-pyridiny)l-4- pyrimidinamines and the use thereof as quanylate cyclase stimulators BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2005-10-06 US disclosed
EP-1509228-A1 DERIVATIVES OF 2-(1-BENZYL-1H-PYRAZOLO (3, 4-B)PYRIDINE-3YL) -5-(4-PYRIDINYL)-4-PYRIMIDINE AMINE AND THE USE THEREOF AS GUANYLATE CYCLASE STIMULATORS Bayer HealthCare AG (DE) 2005-03-02 EP disclosed
EP-1509228-A1 DERIVATIVES OF 2-(1-BENZYL-1H-PYRAZOLO (3, 4-B)PYRIDINE-3YL) -5-(4-PYRIDINYL)-4-PYRIMIDINE AMINE AND THE USE THEREOF AS GUANYLATE CYCLASE STIMULATORS Bayer HealthCare AG (DE) 2005-03-02 EP disclosed
WO-2003097063-A1 DERIVATIVES OF 2-(1-BENZYL-1H-PYRAZOLO (3, 4-B)PYRIDINE-3YL) -5-(4-PYRIDINYL)-4-PYRIMIDINE AMINE AND THE USE THEREOF AS GUANYLATE CYCLASE STIMULATORS BAYER HEALTHCARE AG (DE) 2003-11-27 WO disclosed
WO-2003097063-A1 DERIVATIVES OF 2-(1-BENZYL-1H-PYRAZOLO (3, 4-B)PYRIDINE-3YL) -5-(4-PYRIDINYL)-4-PYRIMIDINE AMINE AND THE USE THEREOF AS GUANYLATE CYCLASE STIMULATORS BAYER HEALTHCARE AG (DE) 2003-11-27 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 (1 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-20050222170-A1 Derivatives of 2-(1-benzyl-1h-pyrazolo(3,4-b)pyridine-3-yl)- 5(-4-pyridiny)l-4- pyrimidinamines and the use thereof as quanylate cyclase stimulators PDE3B, PDE5A, PDE3A L3MBTL1 2809/4885BUB1 2595/4885KCNH2 295/4885

“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.