SCHEMBL183600

SCHEMBL183600

CC(C)CNc1ccc(Br)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.57
HCAR2 Q8TDS4 1/20 0.57
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ATM Q13315 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 5/20 0.47
PKM P14618 3/20 0.47
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 1/20 0.45
FDPS P14324 1/20 0.44
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HPGD P15428 3/20 0.43

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
SCHEMBL7904169 0.86 SMN1; SMN2 (0.51) HCAR3HCAR2NPC1SMN1; SMN2ATM
SCHEMBL7902105 0.86 SMN1; SMN2 (0.51) HCAR3HCAR2NPC1SMN1; SMN2ATM
SCHEMBL3847381 0.81 ATM (0.51) HCAR3HCAR2NPC1SMN1; SMN2ATM
SCHEMBL12327200 0.79 HCAR3 (0.58) HCAR3HCAR2ATMKDM4EALDH1A1
SCHEMBL13874386 0.79 NPC1 (0.49) HCAR3HCAR2NPC1SMN1; SMN2ATM
SCHEMBL503269 0.79 NPC1 (0.55) HCAR3NPC1SMN1; SMN2ATMKDM4E
SCHEMBL2321102 0.78 ATM (0.43) HCAR3HCAR2NPC1SMN1; SMN2ATM
SCHEMBL11294953 0.78 HCAR3 (0.57) HCAR3HCAR2NPC1SMN1; SMN2KDM4E
SCHEMBL17658883 0.78 HCAR3 (0.57) HCAR3HCAR2NPC1SMN1; SMN2KDM4E
SCHEMBL7900361 0.77 EGFR (0.49) HCAR3HCAR2NPC1SMN1; SMN2ATM

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 disclosed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US disclosed
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN 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 HCAR3 2588/4885HCAR2 2037/4885NPC1 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.