SCHEMBL13138552

SCHEMBL13138552

CC(C)=CCOc1cc(Nc2ncnc3ccccc23)ccc1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.54
EGFR P00533 5/20 0.46
KDR P35968 2/20 0.46
MAP4K4 O95819 2/20 0.46
LTK P29376 2/20 0.46
MAPK8 P45983 2/20 0.46
LIMK1 P53667 2/20 0.46
ACVR1 Q04771 2/20 0.46
DYRK1A Q13627 2/20 0.46
MAPK14 Q16539 2/20 0.46
LRRK2 Q5S007 2/20 0.46
AURKB Q96GD4 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
DYRK3 O43781 1/20 0.46
PDGFRA P16234 1/20 0.46
GRK5 P34947 1/20 0.46
CDK8 P49336 1/20 0.46
CDK7 P50613 1/20 0.46
IRAK1 P51617 1/20 0.46

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
SCHEMBL13138548 0.85 ABCG2 (0.57) ABCG2EGFRKDRMAP4K4LTK
SCHEMBL13178587 0.84 EGFR (0.39) ABCG2EGFRRAB9ANPC1SMN1; SMN2
SCHEMBL16671997 0.82 EGFR (0.35) ABCG2EGFRKDRLMNACLK1
SCHEMBL5408787 0.79 IMPDH2 (0.40) ABCG2
SCHEMBL13138556 0.77 FADS1 (0.43) EGFRHTTRAB9ANPC1SMN1; SMN2
SCHEMBL13138549 0.77 ABCG2 (0.64) ABCG2EGFRMAP4K4LTKMAPK8
Hydrochloric Acid SCHEMBL8809476 0.75 ERBB2 (0.63) ABCG2EGFRMAP4K4LTKMAPK8
SCHEMBL13138567 0.74 BCL6 (0.39) EGFRKDRRAB9ANPC1SMN1; SMN2
SCHEMBL13138562 0.73 ALDH1A1 (0.38) HTTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL3047670 0.73 PLA2G7 (0.40) RAB9ANPC1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US disclosed
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 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 (1 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-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 ABCG2 1992/4885EGFR 224/4885KDR 1458/4885

“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.