SCHEMBL646449

SCHEMBL646449

c1ccc(-c2cccc3[nH]c4ncccc4c23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
CDK4 P11802 6/20 0.46
CCND1 P24385 6/20 0.46
AURKA O14965 1/20 0.42
PARP1 P09874 1/20 0.42
TDO2 P48775 2/20 0.42
HTR2B P41595 1/20 0.42
HTR5A P47898 1/20 0.42
CLK4 Q9HAZ1 3/20 0.41
LIMK1 P53667 2/20 0.41
PLK4 O00444 1/20 0.41
MAPK9 P45984 1/20 0.41
AKT3 Q9Y243 1/20 0.41

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
SCHEMBL644518 0.84 LRRK2 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL643897 0.81 AURKA (0.52) AURKACLK4CYP1A2MAPTCYP2C9
SCHEMBL24074843 0.80 PTK6 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21164709 0.79 PDK2 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL644174 0.79 NR1H2 (0.45) CYP2C9IKBKBCHUKJAK2JAK3
SCHEMBL30715243 0.78 CDK4 (0.65) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29143350 0.78 CDK4 (0.65) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2612662 0.78 CHUK (0.48) CLK4ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL1177888 0.78 IMPDH2 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31664385 0.78 IMPDH2 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3

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 60 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 GABRA1 3388/4885GABRG2 2625/4885GABRB3 2953/4885
US-20100190816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 GABRA1 3388/4885GABRG2 2625/4885GABRB3 2953/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 GABRA1 3525/4885GABRG2 2665/4885GABRB3 3096/4885

“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.