SCHEMBL2207404

SCHEMBL2207404

COc1cnc2c(Sc3ccc(N)cc3)ccnc2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.42
PDGFRA P16234 1/20 0.42
DHFR P00374 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
FGFR1 P11362 1/20 0.36
CYP1A2 P05177 1/20 0.36
DYRK1A Q13627 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 1/20 0.35
MET P08581 6/20 0.35
CYP3A4 P08684 3/20 0.35
PDE7A Q13946 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL2210452 0.80 PDE7A (0.37) KDRDHFRCYP1A2DYRK1AMAPK1
SCHEMBL4555081 0.76 KDR (0.45) KDRPDGFRATDP1METALDH1A1
SCHEMBL2209181 0.76 KDR (0.41) KDRPDGFRAMETCYP3A4LMNA
SCHEMBL5050795 0.76 PDGFRA (0.61) KDRPDGFRAMET
SCHEMBL2206780 0.76 FGFR2 (0.43) KDRPDGFRANOS3NOS1NOS2
SCHEMBL16432308 0.75 NOS3 (0.46) NOS3NOS1NOS2CYP1A2DYRK1A
SCHEMBL2206890 0.75 KDR (0.41) KDRPDGFRAMETLMNAMEN1
SCHEMBL15663510 0.74 KDR (0.40) KDRPDGFRAMETCYP3A4LMNA
SCHEMBL2209534 0.74 MAPT (0.48) KDRTDP1ALDH1A1LMNAMEN1
SCHEMBL15663783 0.74 KDR (0.40) KDRPDGFRAMETCYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126935-B2 Aurora kinase modulators and methods of use AMGEN INC. (US) 2015-09-08 US disclosed
US-9126935-B2 Aurora kinase modulators and methods of use AMGEN INC. (US) 2015-09-08 US disclosed
US-9126935-B2 Aurora kinase modulators and methods of use AMGEN INC. (US) 2015-09-08 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
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-7776857-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-7776857-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2010-08-17 US disclosed
WO-2010019473-A1 AURORA KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-02-18 WO disclosed
WO-2010019473-A1 AURORA KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-02-18 WO disclosed
EP-2137177-A2 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2009-12-30 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 KDR 644/4885PDGFRA 1102/4885DHFR 826/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 KDR 644/4885PDGFRA 1102/4885DHFR 826/4885

“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.