SCHEMBL199396

SCHEMBL199396

COc1ccc2c(C(O)c3ccc(Br)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
KDR P35968 4/20 0.43
DYRK1A Q13627 3/20 0.43
CLK2 P49760 3/20 0.43
HIPK4 Q8NE63 3/20 0.43
SRPK1 Q96SB4 3/20 0.43
CLK4 Q9HAZ1 3/20 0.43
STK17A Q9UEE5 3/20 0.43
AURKB Q96GD4 3/20 0.43
MAP4K5 Q9Y4K4 2/20 0.43
MAP4K4 O95819 2/20 0.43
ROS1 P08922 2/20 0.43
CDK2 P24941 2/20 0.43
CDK5 Q00535 2/20 0.43
PTK6 Q13882 2/20 0.43
HIPK2 Q9H2X6 2/20 0.43
PIM1 P11309 1/20 0.43

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
SCHEMBL197821 0.87 HTR1A (0.45) HTR1AADRA1DADRA1AADRA1BKDR
SCHEMBL2206365 0.82 PDGFRA (0.45) HTR1AADRA1DADRA1AADRA1BKDR
SCHEMBL23496975 0.81 TLR8 (0.47) HTR1AADRA1DADRA1AADRA1BKDR
SCHEMBL15836948 0.76 HTR1A (0.55) HTR1AADRA1DADRA1AADRA1BKDR
SCHEMBL2747639 0.76 EGFR (0.48) KDRKDM4EMAPK1CYP1A2GAK
SCHEMBL6791147 0.74 KDM4A (0.51) KDRDYRK1ACLK4AURKBMAP4K4
SCHEMBL9034429 0.73 HTT (0.48) LMNAKDM4EMAPK1NPSR1CYP1A2
SCHEMBL2209594 0.73 HTR1A (0.46) HTR1AADRA1DADRA1AADRA1BKDR
SCHEMBL2996402 0.73 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BKDR
SCHEMBL31298565 0.73 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-8088794-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2012-01-03 US disclosed
US-8088794-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2012-01-03 US disclosed
US-8088794-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2012-01-03 US disclosed
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7858623-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7858623-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7858623-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2010-12-28 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
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-20080312232-A1 Substituted amide derivatives and methods of use HGF, HGFAC, MET HTR1A 4229/4885ADRA1D 2640/4885ADRA1A 2230/4885
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES HGF, HGFAC, MET HTR1A 4021/4885ADRA1D 3126/4885ADRA1A 2207/4885
US-20110118252-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.