SCHEMBL7606552

SCHEMBL7606552

O=S(=O)(CCO)CCNc1nc(-c2ccc[nH]2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
ABCB1 P08183 3/20 0.47
ABCG2 Q9UNQ0 3/20 0.47
PDE5A O76074 3/20 0.46
GBA1 P04062 2/20 0.45
ABCC1 P33527 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
KDM4E B2RXH2 3/20 0.41
RECQL P46063 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HMOX1 P09601 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
ACP1 P24666 1/20 0.40

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
SCHEMBL23747959 0.86 MAPK1 (0.65) MAPK1ABCB1ABCG2PDE5AGBA1
SCHEMBL23748373 0.84 PDE5A (0.62) MAPK1ABCB1ABCG2PDE5AGBA1
SCHEMBL7606590 0.82 KDM4E (0.62) MAPK1ABCB1ABCG2PDE5ALMNA
SCHEMBL7611433 0.82 MAPK1 (0.53) MAPK1PDE5AGBA1LMNAMEN1
SCHEMBL7605572 0.81 GBA1 (0.67) MAPK1PDE5AGBA1LMNAMEN1
SCHEMBL7611389 0.80 MAPK1 (0.51) MAPK1ABCB1ABCG2PDE5AGBA1
SCHEMBL7613479 0.80 LATS1 (0.54) MAPK1ABCB1ABCG2PDE5AGBA1
SCHEMBL7605370 0.80 MAPK1 (0.51) MAPK1PDE5AGBA1LMNAMEN1
SCHEMBL7606535 0.79 METAP1 (0.64) MAPK1PDE5AGBA1LMNAMEN1
SCHEMBL7605588 0.78 GBA1 (0.75) MAPK1ABCB1ABCG2PDE5AGBA1

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 MAPK1 2711/4885ABCB1 1274/4885ABCG2 3440/4885

“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.