SCHEMBL7935746

SCHEMBL7935746

CC(C)(C)Sc1c[nH]c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.50
GPR84 Q9NQS5 1/20 0.49
LRRK2 Q5S007 1/20 0.46
KMT2A Q03164 1/20 0.46
MAP2K1 Q02750 1/20 0.45
MET P08581 3/20 0.44
PDPK1 O15530 3/20 0.42
TGFBR1 P36897 2/20 0.42
IKBKE Q14164 1/20 0.42
DYRK1A Q13627 1/20 0.41
CDC7 O00311 4/20 0.40
MAP4K4 O95819 2/20 0.40
PIM1 P11309 2/20 0.40
PRKACA P17612 2/20 0.40
GSK3B P49841 2/20 0.40
HIPK2 Q9H2X6 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
MTNR1A P48039 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL11612594 0.81 AXL (0.55) AXLGPR84LRRK2KMT2AMAP2K1
SCHEMBL22330299 0.77 AXL (0.55) AXLGPR84LRRK2KMT2AMAP2K1
SCHEMBL21886186 0.77 GPR84 (0.46) AXLGPR84LRRK2KMT2AMAP2K1
SCHEMBL762568 0.74 AXL (0.55) AXLGPR84LRRK2KMT2AMAP2K1
SCHEMBL858484 0.73 TUBB4A (0.57) AXLGPR84LRRK2KMT2AMAP2K1
SCHEMBL29286701 0.73 AXL (0.46) AXLGPR84LRRK2KMT2AMAP2K1
SCHEMBL856966 0.72 AXL (0.49) AXLGPR84LRRK2KMT2AMAP2K1
SCHEMBL857324 0.72 AXL (0.49) AXLGPR84LRRK2KMT2AMAP2K1
SCHEMBL29372615 0.71 AXL (0.60) AXLGPR84LRRK2KMT2AMAP2K1
SCHEMBL12188 0.71 AXL (0.60) AXLGPR84LRRK2KMT2AMAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415469-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-04-09 US disclosed
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-03-01 US disclosed
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-01-26 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 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 (4 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-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 AXL 861/4885GPR84 3523/4885LRRK2 725/4885
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 AXL 1354/4885GPR84 4039/4885LRRK2 491/4885
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 AXL 1354/4885GPR84 4039/4885LRRK2 491/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 AXL 1354/4885GPR84 4039/4885LRRK2 491/4885

“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.