SCHEMBL182704

SCHEMBL182704

c1cnn(-c2ccc(-c3ncnc4ccc(-c5ccc(N6CCNCC6)nc5)cc34)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.48
CYP3A4 P08684 8/20 0.48
KDM4E B2RXH2 2/20 0.48
BMPR1B O00238 3/20 0.42
BMPR1A P36894 3/20 0.42
ACVR1 Q04771 3/20 0.42
ACVRL1 P37023 2/20 0.42
ACVR1B P36896 2/20 0.42
CLK4 Q9HAZ1 5/20 0.41
GPR119 Q8TDV5 1/20 0.41
CYP2C19 P33261 5/20 0.41
USP2 O75604 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NTRK1 P04629 4/20 0.40
CYP2D6 P10635 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL182961 0.78 USP2 (0.50) CYP1A2CYP3A4KDM4EACVR1CLK4
SCHEMBL182963 0.77 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL182851 0.77 PIK3CD (0.52) CYP1A2CYP3A4KDM4ECLK4CYP2C19
SCHEMBL183522 0.77 PIK3CD (0.52) CYP1A2CYP3A4KDM4ECLK4CYP2C19
SCHEMBL182816 0.76 MAP4K1 (0.61) CYP1A2CYP3A4KDM4EACVR1CLK4
SCHEMBL182950 0.75 MAP4K1 (0.60) CYP1A2CYP3A4KDM4EACVR1CLK4
SCHEMBL182925 0.73 PIK3CD (0.55) CYP1A2CYP3A4KDM4ECLK4CYP2C19
SCHEMBL14883835 0.71 PIK3CD (0.71) CYP1A2CYP3A4KDM4ECLK4CYP2C19
Tert-Butyl Formate SCHEMBL27767933 0.69 MAP4K1 (0.53) CYP1A2CYP3A4CLK4CYP2C19USP2
SCHEMBL15244897 0.69 KCNH2 (0.56) BMPR1BBMPR1AACVR1ACVRL1GPR119

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 CYP1A2 622/4885CYP3A4 1218/4885KDM4E 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.