SCHEMBL6068600

SCHEMBL6068600

NC(=O)c1nn(Cc2cccc(F)c2F)c2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFD P00746 9/20 0.49
AURKA O14965 1/20 0.47
PDPK1 O15530 1/20 0.47
RPS6KB1 P23443 1/20 0.47
PDE5A O76074 4/20 0.45
ADORA3 P0DMS8 1/20 0.44
KCNH2 Q12809 1/20 0.44
ATM Q13315 1/20 0.43
PIK3CD O00329 1/20 0.41
GUCY1A1 Q02108 1/20 0.40
GUCY1B1 Q02153 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL4937101 0.91 ATM (0.53) CFDAURKARPS6KB1PDE5AADORA3
SCHEMBL4929205 0.91 ATM (0.53) CFDAURKARPS6KB1PDE5AADORA3
SCHEMBL20140289 0.89 ADORA3 (0.45) CFDAURKAPDPK1RPS6KB1PDE5A
SCHEMBL6223849 0.88 ADORA3 (0.42) CFDAURKAPDPK1RPS6KB1PDE5A
Hydrochloric Acid SCHEMBL6068508 0.87 ADORA3 (0.42) CFDAURKAPDPK1RPS6KB1PDE5A
Acetic Acid SCHEMBL16245022 0.87 ADORA3 (0.45) CFDAURKAPDPK1RPS6KB1PDE5A
SCHEMBL2878455 0.86 PDE5A (0.40) CFDAURKAPDPK1RPS6KB1PDE5A
SCHEMBL8221670 0.86 PDE5A (0.40) CFDAURKAPDPK1RPS6KB1PDE5A
SCHEMBL2878454 0.86 PDE5A (0.40) CFDAURKAPDPK1RPS6KB1PDE5A
SCHEMBL15520222 0.85 CFD (0.41) CFDAURKAPDPK1RPS6KB1PDE5A

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 5 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
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 CFD 1484/4885AURKA 3894/4885PDPK1 1646/4885

“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.