SCHEMBL197821

SCHEMBL197821

COc1ccc2c(C(O)c3ccc(N)cc3)ccnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.45
ADRA1D P25100 3/20 0.45
ADRA1A P35348 3/20 0.45
ADRA1B P35368 3/20 0.45
FERMT2 Q96AC1 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TLR8 Q9NR97 1/20 0.43
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FGFR1 P11362 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAK O14976 1/20 0.40
RIPK2 O43353 1/20 0.40
COQ8A Q8NI60 1/20 0.40
NLK Q9UBE8 1/20 0.40
ROCK2 O75116 1/20 0.40
MET P08581 2/20 0.39
KDR P35968 3/20 0.39
AURKB Q96GD4 2/20 0.39

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
SCHEMBL199396 0.87 HTR1A (0.45) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL2209594 0.86 HTR1A (0.46) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL2206365 0.82 PDGFRA (0.45) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL23496975 0.81 TLR8 (0.47) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL15836948 0.76 HTR1A (0.55) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL14540594 0.74 KDR (0.57) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL6791147 0.74 KDM4A (0.51) KDM4ELMNAKDRAURKBCLK4
SCHEMBL9034429 0.73 HTT (0.48) KDM4ELMNAMAPK1NPSR1CYP1A2
SCHEMBL3841526 0.73 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL2210610 0.72 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BFERMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US disclosed
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US disclosed
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US disclosed
EP-2137177-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-05-07 EP disclosed
EP-2137177-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-05-07 EP disclosed
US-8557816-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557816-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557816-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-10-15 US disclosed
EP-1881976-B1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS AMGEN INC (US) 2012-10-17 EP disclosed
EP-1881976-B1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS AMGEN INC (US) 2012-10-17 EP disclosed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 US disclosed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 US disclosed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 US disclosed
US-20080312232-A1 Substituted amide derivatives and methods of use AMGEN INC. (US) 2008-12-18 US disclosed
US-20080312232-A1 Substituted amide derivatives and methods of use AMGEN INC. (US) 2008-12-18 US disclosed
US-20080312232-A1 Substituted amide derivatives and methods of use AMGEN INC. (US) 2008-12-18 US disclosed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 WO disclosed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 WO disclosed
EP-1881976-A1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS Amgen Inc., (US) 2008-01-30 EP disclosed
WO-2006116713-A1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2006-11-02 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-20140336182-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, CDK1 HTR1A 2640/4885ADRA1D 1454/4885ADRA1A 1228/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 HTR1A 2640/4885ADRA1D 1454/4885ADRA1A 1228/4885
US-20080312232-A1 Substituted amide derivatives and methods of use HGF, HGFAC, MET HTR1A 4229/4885ADRA1D 2640/4885ADRA1A 2230/4885

“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.