SCHEMBL4758591

SCHEMBL4758591

[C-]#[N+]c1cc2nccc(Sc3ccc(N)cc3)c2s1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.36
PDE7A Q13946 1/20 0.35
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
VCAM1 P19320 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
FBP1 P09467 1/20 0.33
DHFR P00374 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
PLK4 O00444 1/20 0.30
KDM1A O60341 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL14047248 0.80 ICAM1 (0.41) KDRPDE7AICAM1SELEVCAM1
SCHEMBL2210680 0.76 MEN1 (0.41) KDRPDE7AICAM1SELEVCAM1
SCHEMBL2206314 0.75 KDR (0.57) KDRPDE7ACYP3A4TSHRMAPK1
SCHEMBL4436141 0.75 KDR (0.57) KDRPDE7ACYP3A4TSHRMAPK1
SCHEMBL4758561 0.69 MAPT (0.30) KMT2AMAPT
SCHEMBL2210452 0.66 PDE7A (0.37) KDRPDE7ACYP3A4TSHRMAPK1
SCHEMBL7488303 0.65 KDM1A (0.54) KDRPDE7ACYP3A4TSHRMAPK1
SCHEMBL7056606 0.64 ICAM1 (0.67) KDRICAM1SELEVCAM1MEN1
SCHEMBL2210593 0.64 DHFR (0.43) KDRPDE7ACYP3A4TSHRMAPK1
SCHEMBL5050795 0.62 PDGFRA (0.61) KDR

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 7 patents. 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-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-7981891-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-07-19 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-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 US 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 644/4885PDE7A 2208/4885ICAM1 3023/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 KDR 644/4885PDE7A 2208/4885ICAM1 3023/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 KDR 644/4885PDE7A 2208/4885ICAM1 3023/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 KDR 644/4885PDE7A 2208/4885ICAM1 3023/4885

“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.