SCHEMBL7609160

SCHEMBL7609160

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
TSHR P16473 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 1/20 0.53
LATS1 O95835 1/20 0.53
GBA1 P04062 8/20 0.53
ABCG2 Q9UNQ0 3/20 0.51
KDM4E B2RXH2 3/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
PDE5A O76074 3/20 0.47
HSD17B10 Q99714 1/20 0.46
RECQL P46063 1/20 0.46
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL7609102 0.89 LATS1 (0.62) TSHRALDH1A1HPGDLMNALATS1
SCHEMBL7606434 0.87 CYP1A2 (0.54) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL7609072 0.86 ALDH1A1 (0.58) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL7609133 0.86 LMNA (0.53) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL7611890 0.85 ALDH1A1 (0.55) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL7613450 0.85 PDE5A (0.65) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL7610140 0.84 ALDH1A1 (0.60) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL7611406 0.84 GBA1 (0.62) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL7604753 0.83 LMNA (0.57) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL7611549 0.83 ALDH1A1 (0.59) ALDH1A1HPGDLMNALATS1GBA1

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 834/4885TSHR 4097/4885

“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.