SCHEMBL5459472

SCHEMBL5459472

COc1ccc(CN2C=Nc3cc(I)c(N)cc3C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.37
PTGIR P43119 1/20 0.37
DHFR P00374 1/20 0.36
DRD2 P14416 1/20 0.36
KCNH2 Q12809 1/20 0.36
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
QPCT Q16769 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
CMA1 P23946 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL3219206 0.76 SIGMAR1 (0.47) SIGMAR1PTGIRDRD2L3MBTL1MEN1
SCHEMBL29888725 0.74 RAB9A (0.43) L3MBTL1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL28127913 0.70 HPGDS (0.38) SIGMAR1PTGIRABCB1ABCC1ABCG2
SCHEMBL28127932 0.67 HCRTR1 (0.33) MEN1KMT2APOLBHTT
Hydrochloric Acid SCHEMBL28127907 0.67 KMT2A (0.38) SIGMAR1DRD2KCNH2ABCB1ABCC1
SCHEMBL30586343 0.66 SIGMAR1 (0.47) SIGMAR1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL5423323 0.64 MMP13 (0.55) L3MBTL1MEN1KMT2AQPCTKDM4E
SCHEMBL28128186 0.64 ALDH1A1 (0.46) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL16466563 0.64 PTGIR (0.40) SIGMAR1PTGIRL3MBTL1MEN1KMT2A
SCHEMBL16466374 0.64 PTGIR (0.40) SIGMAR1PTGIRL3MBTL1ALDH1A1KDM4E

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-20070270589-A1 Quinazoline Derivative and Process for Producing the Same MITSUBISHI PHARMA CORPORATION (JP) 2007-11-22 US disclosed
EP-1690856-A1 QUINAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Mitsubishi Pharma Corporation (JP) 2006-08-16 EP 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-20070270589-A1 Quinazoline Derivative and Process for Producing the Same TP53, NQO2, AQP1 SIGMAR1 2992/4885PTGIR 2893/4885DHFR 243/4885

“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.