SCHEMBL17303153

SCHEMBL17303153

NC(=O)c1ccc2nc(-c3ccccc3)cn2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 5/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPK1 P28482 1/20 0.51
TP53 P04637 5/20 0.50
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A2 O94788 1/20 0.43
ALDH1A3 P47895 1/20 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
SCHEMBL17303160 0.88 TP53 (0.52) ALDH1A1KDM4EHSD17B10TP53NPC1
SCHEMBL31704361 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10MAPK1TP53
SCHEMBL22121772 0.76 GRM2 (0.38) ALDH1A1KDM4EHSD17B10MAPK1TP53
SCHEMBL30804003 0.75 CSNK1D (0.36) ALDH1A1KDM4EHSD17B10MAPK1HPGD
SCHEMBL10532301 0.74 NPC1 (0.55) ALDH1A1KDM4EHSD17B10TP53NPC1
SCHEMBL30568579 0.73 HRH4 (0.35) ALDH1A1KDM4EHSD17B10MAPK1NPC1
SCHEMBL3108835 0.73 NPC1 (0.54) ALDH1A1KDM4EHSD17B10TP53NPC1
SCHEMBL13750723 0.73 RAB9A (0.54) ALDH1A1KDM4EHSD17B10MAPK1TP53
SCHEMBL14076027 0.73 NPC1 (0.54) ALDH1A1KDM4EHSD17B10TP53NPC1
SCHEMBL10766823 0.73 NPC1 (0.50) ALDH1A1KDM4EHSD17B10TP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604989-B2 Imidazopyridazines as Akt kinase inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-03-28 US claimed
US-20150368250-A1 IMIDAZOPYRIDAZINES AS AKT KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-24 US claimed
US-9206185-B2 Imidazopyridazines as Akt kinase inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US claimed

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-20150368250-A1 IMIDAZOPYRIDAZINES AS AKT KINASE INHIBITORS PI4KA, PI4KB, PIK3CD ALDH1A1 1629/4885KDM4E 2256/4885HSD17B10 1802/4885

“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.