SCHEMBL182838

SCHEMBL182838

COc1ccc(-c2ccc3nc[nH]c(=O)c3c2)cn1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 8/20 0.61
PARP1 P09874 6/20 0.52
IP6K1 Q92551 1/20 0.49
CHEK1 O14757 1/20 0.49
PIM1 P11309 1/20 0.49
AKT1 P31749 1/20 0.49
FLT3 P36888 1/20 0.49
PIM3 Q86V86 1/20 0.49
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
SLC2A1 P11166 1/20 0.48
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47
ATM Q13315 1/20 0.47
ATR Q13535 1/20 0.47
TGFBR1 P36897 1/20 0.46

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
SCHEMBL6869415 0.83 ACVR1 (0.63) ACVR1PARP1IP6K1CHEK1PIM1
SCHEMBL8622180 0.82 ACVR1 (0.73) ACVR1PARP1IP6K1CHEK1PIM1
SCHEMBL15845847 0.81 IP6K1 (0.56) IP6K1HSD17B1HSD17B2PIK3CA
SCHEMBL13820082 0.80 RIOK2 (0.46) CHEK1HSD17B1HSD17B2PIK3CAMTOR
SCHEMBL13820309 0.78 PARP1 (0.78) ACVR1PARP1IP6K1CHEK1PIM1
SCHEMBL21331974 0.78 PARP1 (0.54) ACVR1PARP1IP6K1CHEK1PIM1
SCHEMBL7980737 0.76 ACVR1 (0.67) ACVR1PARP1IP6K1CHEK1PIM1
SCHEMBL3806264 0.76 ACVR1 (0.57) ACVR1PARP1IP6K1CHEK1PIM1
SCHEMBL27615456 0.75 PARP1 (0.56) ACVR1PARP1IP6K1CHEK1PIM1
SCHEMBL1257333 0.75 PARP1 (0.63) ACVR1PARP1IP6K1CHEK1PIM1

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 8 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 disclosed
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP disclosed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US disclosed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US disclosed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US disclosed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP disclosed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO disclosed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 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-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors PDPK1, PI4KA, PIK3CA ACVR1 2464/4885PARP1 1907/4885IP6K1 131/4885

“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.