SCHEMBL7604753

SCHEMBL7604753

COc1ccc2nc(-c3cccnc3)nc(NCCOCCO)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
CYP1A2 P05177 4/20 0.57
CYP3A4 P08684 4/20 0.57
CYP2D6 P10635 4/20 0.57
TSHR P16473 4/20 0.57
CYP2C19 P33261 4/20 0.57
USP2 O75604 3/20 0.57
CLK4 Q9HAZ1 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP2C9 P11712 2/20 0.57
HSD17B10 Q99714 2/20 0.57
HPGD P15428 1/20 0.57
LATS1 O95835 1/20 0.57
GBA1 P04062 7/20 0.56
MAPT P10636 2/20 0.55
ABCG2 Q9UNQ0 4/20 0.55
ALOX15 P16050 1/20 0.51
ABCB1 P08183 1/20 0.51

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
SCHEMBL7609133 0.89 LMNA (0.53) LMNACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL7613450 0.88 PDE5A (0.65) LMNACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL7607077 0.88 LATS1 (0.67) LMNACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL7611297 0.87 LATS1 (0.58) LMNACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL7610140 0.87 ALDH1A1 (0.60) LMNACYP1A2CYP3A4TSHRCLK4
SCHEMBL7611406 0.87 GBA1 (0.62) LMNACYP1A2CYP3A4TSHRCLK4
SCHEMBL7611890 0.87 ALDH1A1 (0.55) LMNACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL7611899 0.87 GBA1 (0.60) LMNACYP1A2CYP3A4TSHRCLK4
SCHEMBL7611549 0.86 ALDH1A1 (0.59) LMNAALDH1A1HPGDLATS1GBA1
SCHEMBL7613487 0.86 PDE5A (0.65) LMNAALDH1A1HPGDLATS1GBA1

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 LMNA 902/4885CYP1A2 1452/4885CYP3A4 834/4885

“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.