SCHEMBL182822

SCHEMBL182822

COc1ccc(-c2ccc3nc(N)nc(-c4ccc(C(N)=O)cc4)c3c2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.53
CHEK1 O14757 2/20 0.53
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDE4A P27815 3/20 0.46
PDE4B Q07343 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
ADORA1 P30542 1/20 0.46
DHFR P00374 1/20 0.46
MAP3K11 Q16584 1/20 0.45
ADORA2A P29274 1/20 0.45
ERN1 O75460 1/20 0.44
HSP90AB1 P08238 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL327482 0.91 ADORA1 (0.45) CHEK2CHEK1KDM4EMEN1ALDH1A1
SCHEMBL182850 0.87 DHFR (0.53) KDM4EMEN1KMT2AADORA1DHFR
SCHEMBL1883143 0.85 MAPT (0.51) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL182897 0.83 ADORA1 (0.48) KDM4EALDH1A1MAPTADORA1DHFR
SCHEMBL188522 0.83 DHODH (0.52) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL182575 0.83 ADORA1 (0.52) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL182495 0.82 PIK3CA (0.58) CHEK2CHEK1PDE4APDE4BPDE4C
SCHEMBL183022 0.81 SQSTM1 (0.48) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL183174 0.81 PIK3CA (0.57) CHEK2CHEK1PDE4APDE4BPDE4C
SCHEMBL182874 0.81 PDGFRB (0.48) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US claimed
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN claimed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP claimed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO claimed
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP disclosed
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN 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-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors PDPK1, PI4KA, PIK3CA CHEK2 542/4885CHEK1 461/4885KDM4E 1674/4885

“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.