SCHEMBL7612665

SCHEMBL7612665

C#Cc1ccc2nc(CCn3ccnc3)nc(NCCOCCO)c2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.45
LATS1 O95835 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
SOD1 P00441 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NUDT1 P36639 1/20 0.34
GBA1 P04062 1/20 0.33
TBXAS1 P24557 4/20 0.33
PRNP P04156 1/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP19A1 P11511 1/20 0.33
QPCT Q16769 1/20 0.33

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
SCHEMBL7607820 0.91 PDE5A (0.46) PDE5ALATS1ALDH1A1GSK3AGSK3B
SCHEMBL7607210 0.86 PDE5A (0.43) PDE5ALATS1ALDH1A1GSK3AGSK3B
SCHEMBL7610497 0.85 NUDT1 (0.48) PDE5AALDH1A1GSK3AGSK3BSOD1
SCHEMBL7280971 0.83 PDE5A (0.67) PDE5ATBXAS1
SCHEMBL7610224 0.82 GAA (0.41) LATS1ALDH1A1GSK3AGSK3BTBXAS1
SCHEMBL7615762 0.79 LATS1 (0.43) PDE5ALATS1ALDH1A1NUDT1GBA1
SCHEMBL7605584 0.77 PDE5A (0.44) PDE5ALATS1TBXAS1CYP19A1QPCT
SCHEMBL7604925 0.76 LATS1 (0.43) PDE5ALATS1ALDH1A1NUDT1GBA1
SCHEMBL7615723 0.76 LATS1 (0.66) PDE5ALATS1ALDH1A1GBA1TBXAS1
SCHEMBL7612790 0.75 NUDT1 (0.49) PDE5ALATS1ALDH1A1NUDT1TBXAS1

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 3794/4885LATS1 674/4885ALDH1A1 1566/4885

“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.