SCHEMBL16675956

SCHEMBL16675956

COCC(C)N/C(=N/C(=O)CN1CCOCC1)Nc1n[nH]c2c(F)cccc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 11/20 0.39
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36
CCNE2 O96020 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
AVPR1B P47901 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL16675905 0.76 MAPK1 (0.45) MAPK1
SCHEMBL16682118 0.76 MAPK1 (0.42) MAPK1CCNE1CDK2ALDH1A1
SCHEMBL16675940 0.72 APOL1 (0.39) MAPK1CCNE1CDK2
SCHEMBL19976785 0.67 MAPK1 (0.38) MAPK1DYRK1ACDK2
SCHEMBL16675950 0.67 GSK3B (0.43) MAPK1
SCHEMBL16675946 0.66 KDM4E (0.41) MAPK1WNT1DYRK1ACDK4CDK2
SCHEMBL16675936 0.66 MAPK1 (0.41) MAPK1
SCHEMBL16675960 0.63 MAPK1 (0.35) MAPK1DYRK1ACDK2
SCHEMBL16675952 0.63 MAPK1 (0.35) MAPK1DYRK1ACDK2ALDH1A1
SCHEMBL16675965 0.63 GSK3B (0.47) MAPK1ALDH1A1

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-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 US disclosed
US-20140107127-A1 PYRAZINOISOQUINOLINE COMPOUNDS SUN PHARMACEUTICAL INDUSTRIES, INC. 2014-04-17 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 (2 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-20140107127-A1 PYRAZINOISOQUINOLINE COMPOUNDS ACHE, ABCC5, ABCC2 MAPK1 4540/4885WNT1 3122/4885DYRK1A 3375/4885
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C MAPK1 3291/4885WNT1 3541/4885DYRK1A 4817/4885

“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.