SCHEMBL4758600

SCHEMBL4758600

[C-]#[N+]c1cc2nccc(Cl)c2o1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.32
SOS2 Q07890 1/20 0.32
CASP6 P55212 1/20 0.31

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
SCHEMBL2211013 0.73 ALDH1A1 (0.35) NR4A2SOS2CASP6
SCHEMBL722765 0.73 NR4A2 (0.34) NR4A2SOS2CASP6
SCHEMBL29767254 0.73 NR4A2 (0.34) NR4A2SOS2CASP6
SCHEMBL30765207 0.71 NR4A2 (0.33) NR4A2SOS2CASP6
SCHEMBL723857 0.71 NR4A2 (0.33) NR4A2SOS2CASP6
SCHEMBL1849392 0.69 RECQL (0.38) NR4A2SOS2CASP6
SCHEMBL18340397 0.69 NR4A2 (0.32) NR4A2SOS2CASP6
SCHEMBL2207433 0.69 PSMB8 (0.42) NR4A2SOS2CASP6
SCHEMBL18348153 0.69 NR4A2 (0.35) NR4A2SOS2CASP6
SCHEMBL2209323 0.68 KMT5B (0.34) NR4A2SOS2CASP6

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 NR4A2 2825/4885SOS2 3189/4885CASP6 3121/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 NR4A2 2825/4885SOS2 3189/4885CASP6 3121/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 NR4A2 2825/4885SOS2 3189/4885CASP6 3121/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 NR4A2 2825/4885SOS2 3189/4885CASP6 3121/4885

“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.