SCHEMBL2207786

SCHEMBL2207786

c1ccc(-c2nnc(Nc3ccc(Oc4ccnc5cc(N6CCOCC6)ccc45)cc3)c3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.48
SLC2A1 P11166 1/20 0.48
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
MAPT P10636 8/20 0.47
ALDH1A1 P00352 5/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 3/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
PLK4 O00444 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
YES1 P07947 1/20 0.45
TP53 P04637 1/20 0.44
FGFR2 P21802 1/20 0.44
MEN1 O00255 2/20 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
SCHEMBL2210999 0.93 CCNC (0.49) KDRSLC2A1CCNCCDK8MAPT
SCHEMBL2210992 0.81 FGFR2 (0.58) KDRMAPTALDH1A1LMNAUSP2
SCHEMBL2211081 0.81 FGFR2 (0.50) KDRMAPTALDH1A1CYP3A4CYP2C9
SCHEMBL2209486 0.79 FGFR2 (0.48) KDRMAPTALDH1A1CYP3A4CYP2C9
SCHEMBL2210553 0.79 FGFR2 (0.48) KDRMAPTALDH1A1CYP3A4CYP2C9
SCHEMBL2207029 0.78 FGFR2 (0.72) KDRMAPTLMNAFGFR2
SCHEMBL2211269 0.77 ALK (0.54) KDRMAPTNPSR1LMNATP53
SCHEMBL2211767 0.76 FGFR2 (0.58) KDRMAPTALDH1A1LMNAUSP2
SCHEMBL2209074 0.76 FGFR2 (0.50) KDRMAPTALDH1A1CYP3A4CYP2C9
SCHEMBL2208900 0.76 FGFR2 (0.63) KDRMAPTLMNATP53FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981891-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-07-19 US claimed
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2010-11-04 US claimed
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
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 US disclosed
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2010-11-04 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
US-7776857-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2010-08-17 US 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

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

For each of this compound's patents that has machine-readable text (4 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 644/4885SLC2A1 4652/4885CCNC 32/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 KDR 644/4885SLC2A1 4652/4885CCNC 32/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 KDR 644/4885SLC2A1 4652/4885CCNC 32/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 KDR 644/4885SLC2A1 4652/4885CCNC 32/4885

“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.