SCHEMBL2920109

SCHEMBL2920109

CC(=O)Nc1nc2ccc(Br)cc2n1-c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
DYRK1A Q13627 2/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KIT P10721 2/20 0.40
FLT3 P36888 2/20 0.40
MEN1 O00255 3/20 0.39
MAPT P10636 1/20 0.39
PABPC1 P11940 1/20 0.39

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
SCHEMBL14247557 0.77 NPC1 (0.50) POLBCYP1A2CYP2C9CYP2C19NPC1
SCHEMBL2926644 0.75 KMT2A (0.41) POLBCYP1A2CYP2C19NPC1RAB9A
SCHEMBL31220083 0.69 DYRK1A (0.50) POLBCYP1A2CYP2C9CYP2C19NPC1
SCHEMBL25171869 0.69 DYRK1A (0.50) POLBCYP1A2CYP2C9CYP2C19NPC1
SCHEMBL20240126 0.68 MAT2A (0.43) POLBCYP1A2CYP2C19RAB9AKMT2A
SCHEMBL24320108 0.66 ALDH1A1 (0.62) KMT2AKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL30516932 0.66 ALDH1A1 (0.62) KMT2AKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL30704300 0.65 MAPK14 (0.40) CYP1A2CYP2C19NPC1KMT2AKDM4E
SCHEMBL29134581 0.65 MAPK14 (0.40) CYP1A2CYP2C19NPC1KMT2AKDM4E
SCHEMBL2175321 0.65 RAB9A (0.69) POLBCYP1A2CYP2C9CYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820665-B2 Imidazopyridazine inhibitors of PI3 kinase for cancer treatment AMGEN INC. (US) 2010-10-26 US disclosed
US-7820665-B2 Imidazopyridazine inhibitors of PI3 kinase for cancer treatment AMGEN INC. (US) 2010-10-26 US disclosed
US-7820665-B2 Imidazopyridazine inhibitors of PI3 kinase for cancer treatment AMGEN INC. (US) 2010-10-26 US disclosed
EP-2231661-A1 INHIBITORS OF PI3 KINASE Amgen, Inc. (US) 2010-09-29 EP disclosed
WO-2009085230-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-07-09 WO disclosed
WO-2009085230-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-07-09 WO disclosed
US-20090163489-A1 Inhibitors of PI3 kinase AMGEN INC. 2009-06-25 US disclosed
US-20090163489-A1 Inhibitors of PI3 kinase AMGEN INC. 2009-06-25 US disclosed
US-20090163489-A1 Inhibitors of PI3 kinase AMGEN INC. 2009-06-25 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-20090163489-A1 Inhibitors of PI3 kinase PIK3CA, PIK3CD, PIK3CG POLB 2056/4885CYP1A2 4032/4885CYP2C9 3445/4885

“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.