SCHEMBL182961

SCHEMBL182961

NC(=O)c1ccc(-c2ncnc3ccc(-c4ccc(N5CCNCC5)nc4)cc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
TSHR P16473 1/20 0.50
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MELK Q14680 4/20 0.46
KCNH2 Q12809 2/20 0.45
HDAC2 Q92769 4/20 0.44
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 2/20 0.44
ITGA2B P08514 1/20 0.43
MAP3K11 Q16584 1/20 0.43
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 2/20 0.42
ACVR1 Q04771 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
Hydrochloric Acid SCHEMBL20293527 0.81 GPR119 (0.54) KCNH2HDAC2HDAC3HDAC1ITGA2B
SCHEMBL182816 0.80 MAP4K1 (0.61) USP2HSD17B10CLK4CYP1A2CYP3A4
SCHEMBL182851 0.79 PIK3CD (0.52) USP2HSD17B10CLK4CYP1A2CYP3A4
SCHEMBL183522 0.79 PIK3CD (0.52) USP2HSD17B10CLK4CYP1A2CYP3A4
SCHEMBL182950 0.79 MAP4K1 (0.60) USP2HSD17B10CLK4CYP1A2CYP3A4
SCHEMBL14883835 0.79 PIK3CD (0.71) USP2HSD17B10CLK4TSHRCYP1A2
SCHEMBL183097 0.78 MKNK1 (0.61) CLK4CYP1A2CYP3A4KCNH2MAP3K11
SCHEMBL182704 0.78 CYP1A2 (0.48) USP2HSD17B10CLK4CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL20293639 0.76 HDAC2 (0.55) KCNH2HDAC2HDAC3HDAC1ITGA2B
SCHEMBL2706925 0.75 PARP1 (0.53) KCNH2HDAC2HDAC3HDAC1ACVR1

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 USP2 2919/4885HSD17B10 1064/4885CLK4 586/4885

“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.