SCHEMBL182604

SCHEMBL182604

COc1ccc(-c2ccc3nc(N)nc(-c4ccc5c(c4)OCO5)c3c2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.51
KIT P10721 1/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ADORA2A P29274 3/20 0.47
ADORA1 P30542 3/20 0.47
ADORA2B P29275 1/20 0.47
FLT3 P36888 1/20 0.46
TSHR P16473 3/20 0.45
MAPK1 P28482 3/20 0.45
MAPT P10636 1/20 0.45
ERN1 O75460 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 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
SCHEMBL182832 0.93 ERN1 (0.45) SRCKITNPC1RAB9AADORA2A
SCHEMBL183204 0.93 ERN1 (0.45) SRCKITNPC1RAB9AADORA2A
SCHEMBL182850 0.87 DHFR (0.53) ADORA2AADORA1HSD17B10MEN1KMT2A
SCHEMBL183411 0.82 PIK3CD (0.58) KITFLT3TSHRMAPK1MAPT
SCHEMBL182389 0.82 PIK3CD (0.58) KITFLT3TSHRMAPK1MAPT
SCHEMBL183022 0.81 SQSTM1 (0.48) KITADORA2AADORA1MAPK1HSD17B10
SCHEMBL182874 0.80 PDGFRB (0.48) KITNPC1RAB9AADORA2AADORA1
SCHEMBL182897 0.80 ADORA1 (0.48) ADORA2AADORA1TSHRMAPTHSD17B10
SCHEMBL182575 0.80 ADORA1 (0.52) ADORA2AADORA1MAPK1HSD17B10ALDH1A1
SCHEMBL183029 0.78 PIK3CA (0.51) KITADORA2AADORA1FLT3DHFR

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-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
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

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 SRC 904/4885KIT 317/4885NPC1 236/4885

“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.