SCHEMBL158994

SCHEMBL158994

O=C(O)C(Br)c1ccc(F)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.44
KMO O15229 2/20 0.34
FFAR2 O15552 1/20 0.32
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31
P4HTM Q9NXG6 3/20 0.31
NR1I2 O75469 1/20 0.31
AGBL2 Q5U5Z8 1/20 0.31
NPC1 O15118 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MAPK1 P28482 1/20 0.31
BCL2L1 Q07817 1/20 0.31
BAD Q92934 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL17765315 0.81 APLNR (0.46) APLNRKMOFFAR2CES2CES1
SCHEMBL23578743 0.81 APLNR (0.44) APLNRKMOFFAR2NR1I2NPC1
SCHEMBL17765226 0.78 APLNR (0.51) APLNRKMOFFAR2NR1I2AGBL2
SCHEMBL24328889 0.74 APLNR (0.44) APLNRKMOFFAR2NPC1
SCHEMBL24327747 0.74 APLNR (0.44) APLNRKMOFFAR2NPC1
SCHEMBL30309670 0.72 APLNR (0.49) APLNR
SCHEMBL20743678 0.72 APLNR (0.49) APLNR
SCHEMBL22775197 0.72 APLNR (0.41) APLNRFFAR2
SCHEMBL1849724 0.72 APLNR (0.41) APLNRFFAR2
SCHEMBL19717001 0.72 APLNR (0.53) APLNRFFAR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633207-B2 Quinazoline compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2014-01-21 US disclosed
EP-2611789-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030948-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
US-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-01 US 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-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, TYK2 APLNR 4017/4885KMO 233/4885FFAR2 3796/4885

“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.