SCHEMBL182777

SCHEMBL182777

COc1nc(C(F)(F)F)ccc1-c1c[c]ccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.40
PDE4B Q07343 4/20 0.33
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
SQOR Q9Y6N5 2/20 0.33
SYK P43405 2/20 0.32
TRPA1 O75762 1/20 0.32
KDM4E B2RXH2 3/20 0.32
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL22116705 0.80 ERN1 (0.42) HSD17B10MAPTNPSR1SQORKDM4E
SCHEMBL29202394 0.76 RAB9A (0.47) HSD17B10SQORKDM4ETSHRCYP3A4
SCHEMBL7264367 0.72 QPCT (0.48) HSD17B10MAPTNPSR1SQORKDM4E
SCHEMBL3843271 0.72 BTK (0.43) L3MBTL1NPC1RAB9A
SCHEMBL2614964 0.70 MBOAT4 (0.40) HSD17B10PDE4BMAPTKDM4EL3MBTL1
SCHEMBL19692834 0.70 NOTUM (0.43) HSD17B10
SCHEMBL27233781 0.69 MAPT (0.41) HSD17B10MAPT
SCHEMBL28272988 0.67 TRPV4 (0.43)
SCHEMBL16635123 0.67 TRPA1 (0.44) HSD17B10SQORSYKTRPA1TSHR
SCHEMBL12093699 0.67 MBOAT4 (0.38) HSD17B10PDE4BMAPTLMNASQOR

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 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
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

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 HSD17B10 1064/4885PDE4B 928/4885MAPT 4105/4885

“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.