SCHEMBL10133103

SCHEMBL10133103

c1ccc(-c2ccc(Cc3nc(-c4ccccc4)c[nH]3)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.36
AXL P30530 2/20 0.36
CDK8 P49336 2/20 0.36
LIPG Q9Y5X9 1/20 0.36
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
MAPK1 P28482 1/20 0.35
GPR84 Q9NQS5 2/20 0.34
HPGDS O60760 1/20 0.34
TNIK Q9UKE5 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
SGK1 O00141 1/20 0.33
SRC P12931 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL2842104 0.82 ASIC3 (0.44) HPGDSASIC3SMN1; SMN2NPC1RAB9A
SCHEMBL28400612 0.82 ASIC3 (0.51) ASIC3
SCHEMBL10133074 0.80 NR1H2 (0.44) SMN1; SMN2NPC1RAB9AGSK3B
SCHEMBL2838089 0.78 CYP11B1 (0.46) HPGDSGSK3B
SCHEMBL2840133 0.78 HRH3 (0.47) HPGDSASIC3SMN1; SMN2NPC1NFKB1
SCHEMBL3856407 0.76 NR1H2 (0.50) HPGDSSMN1; SMN2NPC1RAB9AGSK3B
SCHEMBL1925993 0.74 TAAR1 (0.44) AKT1AKT2ASIC3SMN1; SMN2SGK1
SCHEMBL2839739 0.74 CYP11B1 (0.58) HPGDSGSK3B
SCHEMBL1927652 0.74 PKM (0.41) AKT1AKT2MAPK1SMN1; SMN2NPC1
SCHEMBL2318570 0.73 HPGDS (0.57) HPGDSSMN1; SMN2NPC1NFKB1RAB9A

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
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
WO-2009009041-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2009-01-15 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-20090149510-A1 Compositions and methods for modulating a kinase cascade MAP3K6, MAP3K4, MAP3K3 PDPK1 90/4885AXL 1238/4885CDK8 263/4885

“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.