SCHEMBL19630876

SCHEMBL19630876

Cc1cc(Cl)cc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)c1ONCCO

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.51
CSNK1D P48730 14/20 0.51
ACP1 P24666 1/20 0.47
NCS1 P62166 1/20 0.45
CYP2D6 P10635 1/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
LRRK2 Q5S007 1/20 0.44

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
SCHEMBL19612122 0.87 DYRK1A (0.57) DYRK1ACSNK1DACP1NCS1CYP2D6
SCHEMBL19630768 0.85 CSNK1D (0.55) DYRK1ACSNK1DACP1NCS1LRRK2
SCHEMBL24044916 0.84 DYRK1A (0.54) DYRK1ACSNK1DACP1NCS1CYP2D6
SCHEMBL19612108 0.84 DYRK1A (0.54) DYRK1ACSNK1DACP1NCS1CYP2D6
SCHEMBL19612165 0.83 DYRK1A (0.53) DYRK1ACSNK1DACP1NCS1CYP2D6
SCHEMBL19612166 0.83 DYRK1A (0.53) DYRK1ACSNK1DACP1NCS1CYP2D6
SCHEMBL19627267 0.83 DYRK1A (0.53) DYRK1ACSNK1DACP1NCS1CYP2D6
SCHEMBL19630916 0.83 KMT2A (0.43) NCS1CASP3SENP8SENP7SENP6
SCHEMBL19630998 0.82 CSNK1D (0.50) DYRK1ACSNK1DACP1NCS1CYP2D6
SCHEMBL19612156 0.82 CSNK1D (0.50) DYRK1ACSNK1DACP1NCS1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227315-B2 Mitochondrial uncouplers for treatment of metabolic diseases and cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-03-12 US disclosed
US-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2017-11-23 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-10227315-B2 Mitochondrial uncouplers for treatment of metabolic diseases and cancer AK2, PC, GLS2 DYRK1A 4412/4885CSNK1D 3205/4885ACP1 1398/4885
US-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER AK2, PC, GLS2 DYRK1A 4289/4885CSNK1D 3164/4885ACP1 1257/4885

“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.