SCHEMBL6068302

SCHEMBL6068302

Nc1nc(-c2nn(Cc3ccccc3Cl)c3ncccc23)ncc1-c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 8/20 0.47
ADORA3 P0DMS8 1/20 0.44
KCNH2 Q12809 1/20 0.44
PDE5A O76074 6/20 0.43
GUCY1A1 Q02108 2/20 0.38
GUCY1B1 Q02153 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
Etriciguat SCHEMBL419874 0.89 ADORA3 (0.56) BUB1ADORA3KCNH2PDE5AGUCY1A1
Etriciguat SCHEMBL29388720 0.89 ADORA3 (0.56) BUB1ADORA3KCNH2PDE5AGUCY1A1
SCHEMBL6068827 0.88 L3MBTL1 (0.47) BUB1ADORA3KCNH2PDE5AGUCY1A1
SCHEMBL6068406 0.87 BUB1 (0.48) BUB1ADORA3KCNH2PDE5AGUCY1A1
SCHEMBL6068522 0.85 ADORA3 (0.49) BUB1ADORA3KCNH2PDE5AGUCY1A1
SCHEMBL18212218 0.83 ADORA3 (0.58) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL2508154 0.77 GUCY1A1 (0.46) GUCY1A1GUCY1B1
SCHEMBL2509702 0.77 GUCY1A1 (0.46) GUCY1A1GUCY1B1
SCHEMBL25688767 0.77 PDE5A (0.57) BUB1ADORA3KCNH2PDE5A
SCHEMBL6215182 0.76 ADORA3 (0.57) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1

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 3 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

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 BUB1 2595/4885ADORA3 301/4885KCNH2 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.