SCHEMBL6068569

SCHEMBL6068569

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.52
PDE5A O76074 8/20 0.47
ADORA3 P0DMS8 1/20 0.43
KCNH2 Q12809 1/20 0.43
BUB1 O43683 1/20 0.41
BRD4 O60885 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL2883538 0.92 PDE5A (0.53) ELANEPDE5AADORA3KCNH2BUB1
SCHEMBL6224401 0.84 PDE5A (0.47) PDE5AADORA3KCNH2
SCHEMBL6068600 0.84 CFD (0.49) PDE5AADORA3KCNH2ATM
SCHEMBL6068675 0.83 PTGDR2 (0.53) ELANEALDH1A1GAA
SCHEMBL20140289 0.82 ADORA3 (0.45) PDE5AADORA3KCNH2ATM
Acetic Acid SCHEMBL16245022 0.80 ADORA3 (0.45) PDE5AADORA3KCNH2ATM
SCHEMBL1217408 0.80 L3MBTL1 (0.61) ELANEBRD4MEN1ALDH1A1KMT2A
SCHEMBL6223849 0.79 ADORA3 (0.42) PDE5AADORA3KCNH2ATM
Hydrochloric Acid SCHEMBL6068508 0.78 ADORA3 (0.42) PDE5AADORA3KCNH2ATM
SCHEMBL8221670 0.78 PDE5A (0.40) PDE5AADORA3KCNH2ATM

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 2 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
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 ELANE 3837/4885PDE5A 2/4885ADORA3 301/4885

“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.