SCHEMBL5469628

SCHEMBL5469628

[c]1nc(-c2cccs2)c(-c2cc[nH]n2)o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RPS6KB2 Q9UBS0 6/20 0.33
ADORA2A P29274 3/20 0.33
ADORA1 P30542 2/20 0.33
ADORA3 P0DMS8 1/20 0.32
TDO2 P48775 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL2053519 0.75 KDM4E (0.52) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL5473233 0.74 MEN1 (0.33) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL18726203 0.69
SCHEMBL17181335 0.69 NISCH (0.35) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL7105969 0.66 NPC1 (0.40) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL28454459 0.63 RPS6KB2 (0.50) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL27390465 0.61 MAPT (0.40) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL3473292 0.61 RPS6KB2 (0.41) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL1379282 0.59 KDM4E (0.48) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL1673128 0.58

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043010-A1 Quinazoline derivatives ASTRAZENECA UK LIMITED (GB) 2007-02-22 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-20070043010-A1 Quinazoline derivatives ERBB2, ABL1, EGFR MEN1 1655/4885KMT2A 2314/4885KDM4E 2957/4885

“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.