SCHEMBL644518

SCHEMBL644518

Cc1cccc(-c2cccc3[nH]c4ncccc4c23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.46
NR1I3 Q14994 1/20 0.42
NPY5R Q15761 1/20 0.42
MAP4K4 O95819 2/20 0.40
PIM1 P11309 2/20 0.40
PRKACA P17612 2/20 0.40
GSK3B P49841 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
CDC7 O00311 2/20 0.40
CHEK1 O14757 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40
MET P08581 1/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
LTK P29376 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
SCHEMBL646449 0.84 GABRA1 (0.47) LRRK2MAP4K4PRKACACLK4CSF1R
SCHEMBL643897 0.83 AURKA (0.52) LRRK2NR1I3NPY5RGSK3BCLK4
SCHEMBL16257469 0.82 LRRK2 (0.53) LRRK2NR1I3ACVR1ALKBCHE
SCHEMBL644174 0.81 NR1H2 (0.45) LRRK2
SCHEMBL2612662 0.80 CHUK (0.48) GSK3BCLK4FYNMETMAPK8
SCHEMBL24074843 0.80 PTK6 (0.41) MAP4K4PIM1PRKACAGSK3BCLK4
SCHEMBL20933848 0.80 NR1I3 (0.51) LRRK2NR1I3MAP4K4PIM1PRKACA
SCHEMBL645590 0.79 NR1H2 (0.47) GSK3BCHEK1ABL1NTRK1LCK
SCHEMBL645846 0.78 BRD4 (0.49)
SCHEMBL22433744 0.76 ERBB2 (0.50) CHEK1GABRA1GABRG2GABRB3GABRA5

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2133349-B1 Kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2011-01-12 EP claimed
US-20100190816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US claimed
EP-2133349-A1 Kinase inhibitors Takeda San Diego, Inc. (US) 2009-12-16 EP claimed
EP-1931669-A1 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2008-06-18 EP claimed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US claimed
WO-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 WO claimed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-8278450-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-02 US disclosed
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO disclosed
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
WO-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 WO disclosed
WO-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 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 (3 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-20070117816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 LRRK2 608/4885NR1I3 3656/4885NPY5R 4529/4885
US-20100190816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 LRRK2 608/4885NR1I3 3656/4885NPY5R 4529/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 LRRK2 517/4885NR1I3 4018/4885NPY5R 4711/4885

“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.