SCHEMBL7606509

SCHEMBL7606509

O=S(=O)(CCO)CCNc1nc(-n2ccnc2)nc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.66
PTGS1 P23219 1/20 0.62
TBXAS1 P24557 1/20 0.62
PTGS2 P35354 1/20 0.62
PDE3B Q13370 1/20 0.62
PDE3A Q14432 1/20 0.62

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
SCHEMBL7606571 0.82 ALDH1A1 (0.48) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL7607878 0.81 PDE5A (0.42) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL7610675 0.81 PDE5A (0.69) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL7277566 0.80 PDE5A (1.00) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL7280050 0.80 PDE5A (0.84) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL7610950 0.80 PDE5A (0.41) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL7608988 0.79 PDE5A (0.66) PDE5APTGS1TBXAS1PTGS2PDE3B
Hydrochloric Acid SCHEMBL7278029 0.79 PDE5A (1.00) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL7280500 0.79 PDE5A (0.62) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL7280806 0.77 PDE5A (1.00) PDE5APTGS1TBXAS1PTGS2PDE3B

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-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives OSI PHARMACEUTICALS, INC. 2002-02-28 US disclosed
US-5439895-A Cardiovascular disorders; inhibitor of thromboxane A2 synthetase and cyclic guanosine 3',5'-monophosphate ONO PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 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-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives VHL, MCL1, NFATC1 PDE5A 3794/4885PTGS1 419/4885TBXAS1 977/4885

“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.