SCHEMBL7606434

SCHEMBL7606434

CS(=O)(=O)Nc1ccc2nc(-c3cccnc3)nc(NCCOCCO)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.54
CYP3A4 P08684 5/20 0.54
USP2 O75604 4/20 0.54
CLK4 Q9HAZ1 4/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP2C19 P33261 3/20 0.54
ALOX15 P16050 1/20 0.54
APEX1 P27695 1/20 0.54
CASP7 P55210 1/20 0.54
CYP2D6 P10635 3/20 0.53
TSHR P16473 3/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.52
LATS1 O95835 1/20 0.52
GBA1 P04062 7/20 0.52
SLC6A3 Q01959 2/20 0.49
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL7606504 0.89 LATS1 (0.61) CYP1A2CYP3A4USP2CLK4ALDH1A1
SCHEMBL7609160 0.87 CYP1A2 (0.55) CYP1A2CYP3A4CLK4ALDH1A1CYP2C19
SCHEMBL7605619 0.85 ALDH1A1 (0.55) CYP1A2CYP3A4CLK4ALDH1A1TSHR
SCHEMBL7613450 0.84 PDE5A (0.65) CYP1A2CYP3A4USP2CLK4ALDH1A1
SCHEMBL7609072 0.83 ALDH1A1 (0.58) CYP1A2CYP3A4CLK4ALDH1A1TSHR
SCHEMBL7611406 0.83 GBA1 (0.62) CYP1A2CYP3A4CLK4ALDH1A1TSHR
SCHEMBL7610140 0.83 ALDH1A1 (0.60) CYP1A2CYP3A4CLK4ALDH1A1TSHR
SCHEMBL7611890 0.83 ALDH1A1 (0.55) CYP1A2CYP3A4CLK4ALDH1A1CYP2C19
SCHEMBL7604753 0.83 LMNA (0.57) CYP1A2CYP3A4USP2CLK4ALDH1A1
SCHEMBL7611549 0.82 ALDH1A1 (0.59) 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 CYP1A2 1452/4885CYP3A4 834/4885USP2 1785/4885

“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.