SCHEMBL7606535

SCHEMBL7606535

O=S(=O)(CCO)CCNc1nc(-c2ccccn2)nc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.64
KMT2A Q03164 5/20 0.63
TDP1 Q9NUW8 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
JAK2 O60674 1/20 0.63
PPP1CA P62136 1/20 0.63
MEN1 O00255 3/20 0.59
NPC1 O15118 2/20 0.59
PDE5A O76074 2/20 0.58
ADORA3 P0DMS8 3/20 0.56
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
ALOX15 P16050 1/20 0.53
HIF1A Q16665 2/20 0.52
RAB9A P51151 3/20 0.51
MAPK1 P28482 1/20 0.50
HPGD P15428 1/20 0.47
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
SCHEMBL7611433 0.90 MAPK1 (0.53) METAP1KMT2ATDP1L3MBTL1JAK2
SCHEMBL7605370 0.83 MAPK1 (0.51) METAP1KMT2ATDP1L3MBTL1JAK2
SCHEMBL7606590 0.83 KDM4E (0.62) KMT2AMEN1PDE5ASMN1; SMN2ALDH1A1
SCHEMBL7605572 0.80 GBA1 (0.67) KMT2ATDP1L3MBTL1MEN1PDE5A
SCHEMBL7613509 0.80 METAP1 (0.67) METAP1KMT2ATDP1L3MBTL1JAK2
SCHEMBL7610714 0.80 METAP1 (0.67) METAP1KMT2ATDP1L3MBTL1JAK2
SCHEMBL7605588 0.79 GBA1 (0.75) KMT2ATDP1L3MBTL1MEN1PDE5A
SCHEMBL7606552 0.79 MAPK1 (0.49) KMT2AMEN1PDE5AALDH1A1LMNA
SCHEMBL12674275 0.78 METAP1 (1.00) METAP1KMT2ATDP1L3MBTL1JAK2
SCHEMBL7610197 0.78 METAP1 (0.64) METAP1KMT2ATDP1L3MBTL1JAK2

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 METAP1 1241/4885KMT2A 767/4885TDP1 2743/4885

“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.