SCHEMBL2233800

SCHEMBL2233800

COc1cc(-c2nc(NCc3ccc(F)c(F)c3)c3ccccc3n2)cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.66
KMT2A Q03164 6/20 0.66
CYP1A2 P05177 7/20 0.57
CYP3A4 P08684 7/20 0.57
CYP2D6 P10635 7/20 0.57
TSHR P16473 7/20 0.57
CYP2C19 P33261 7/20 0.57
LMNA P02545 6/20 0.57
HSD17B10 Q99714 3/20 0.57
MAPK1 P28482 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPT P10636 2/20 0.56
USP2 O75604 6/20 0.54
CYP2C9 P11712 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CLK4 Q9HAZ1 2/20 0.54
KDM1A O60341 1/20 0.53
APP P05067 1/20 0.53
PDE5A O76074 3/20 0.52
BCHE P06276 3/20 0.52

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
SCHEMBL1084049 0.91 LMNA (0.69) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL2231388 0.88 CYP1A2 (0.69) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL2232152 0.86 CYP1A2 (0.66) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL2232426 0.86 MEN1 (0.66) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL2233241 0.85 MEN1 (0.65) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4868213 0.84 MEN1 (0.79) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL2294872 0.82 MEN1 (0.61) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL1083760 0.79 MEN1 (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL19667644 0.78 PDE5A (0.70) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL1083981 0.78 KDM1A (0.66) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528606-B1 QUINAZOLINE-BASED T CELL PROLIFERATION INHIBITORS LEVITZKI ALEXANDER (IL) 2014-09-24 EP disclosed
US-8759363-B2 Quinazoline-based T cell proliferation inhibitors YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-06-24 US disclosed
US-20130109706-A1 QUINAZOLINE-BASED T CELL PROLIFERATION INHIBITORS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERSALEM LTD. (IL) 2013-05-02 US disclosed
EP-2528606-A1 QUINAZOLINE-BASED T CELL PROLIFERATION INHIBITORS Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2012-12-05 EP disclosed
WO-2011092695-A1 QUINAZOLINE-BASED T CELL PROLIFERATION INHIBITORS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2011-08-04 WO 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-20130109706-A1 QUINAZOLINE-BASED T CELL PROLIFERATION INHIBITORS IL2, CD4, NFATC1 MEN1 3730/4885KMT2A 1486/4885CYP1A2 477/4885

“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.