SCHEMBL7609072

SCHEMBL7609072

O=C(O)c1ccc2nc(-c3cccnc3)nc(NCCOCCO)c2c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
HPGD P15428 1/20 0.58
LATS1 O95835 1/20 0.58
GBA1 P04062 8/20 0.57
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
PDE5A O76074 8/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL7611890 0.92 ALDH1A1 (0.55) ALDH1A1LMNAHPGDLATS1GBA1
SCHEMBL7610140 0.88 ALDH1A1 (0.60) ALDH1A1LMNAHPGDLATS1GBA1
SCHEMBL7611406 0.88 GBA1 (0.62) ALDH1A1LMNAHPGDLATS1GBA1
SCHEMBL7607906 0.88 LATS1 (0.68) ALDH1A1LMNAHPGDLATS1GBA1
SCHEMBL7613487 0.87 PDE5A (0.65) ALDH1A1LMNAHPGDLATS1GBA1
SCHEMBL7611549 0.87 ALDH1A1 (0.59) ALDH1A1LMNAHPGDLATS1GBA1
SCHEMBL7613450 0.87 PDE5A (0.65) ALDH1A1LMNAHPGDLATS1GBA1
SCHEMBL7609160 0.86 CYP1A2 (0.55) ALDH1A1LMNAHPGDLATS1GBA1
SCHEMBL7609133 0.86 LMNA (0.53) ALDH1A1LMNAHPGDLATS1GBA1
SCHEMBL7605619 0.86 ALDH1A1 (0.55) ALDH1A1LMNAHPGDLATS1GBA1

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 ALDH1A1 1566/4885LMNA 902/4885HPGD 641/4885

“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.