SCHEMBL4758561

SCHEMBL4758561

[C-]#[N+]c1cc2nccc(Cl)c2s1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL29767078 0.77 FLT1 (0.33)
SCHEMBL105732 0.77 FLT1 (0.33)
SCHEMBL28375772 0.76 PSMB8 (0.33) MAPTKMT2ATDP1
SCHEMBL29544829 0.73 MAP3K8 (0.36) MAPTKMT2ATDP1
SCHEMBL2209771 0.73 KIT (0.35) MAPTKMT2ATDP1
SCHEMBL13185442 0.73 PSMB8 (0.32)
SCHEMBL29808576 0.73 KIT (0.35) MAPTKMT2ATDP1
SCHEMBL108770 0.73 MAP3K8 (0.36) MAPTKMT2ATDP1
SCHEMBL25739758 0.72 USP7 (0.31)
SCHEMBL23666994 0.70 KDM4E (0.32)

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 MAPT 1693/4885KMT2A 868/4885TDP1 965/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 MAPT 1693/4885KMT2A 868/4885TDP1 965/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 MAPT 1693/4885KMT2A 868/4885TDP1 965/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 MAPT 1693/4885KMT2A 868/4885TDP1 965/4885

“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.