SCHEMBL17214840

SCHEMBL17214840

c1cc2ccc(-c3ccc(-c4nnc(SCc5nnn[nH]5)[nH]4)o3)cc2[nH]1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.31
BRD4 O60885 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 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
SCHEMBL17214831 0.92 PRKDC (0.33) APPBRD4
SCHEMBL17214984 0.85 NOTUM (0.32) CYP1A1CYP1B1
SCHEMBL17214832 0.83 THRB (0.37)
SCHEMBL17215049 0.82 GRK6 (0.31)
SCHEMBL17214834 0.82 ABCB1 (0.36)
SCHEMBL17214991 0.80 CD274 (0.33)
SCHEMBL17214949 0.80 L3MBTL1 (0.36)
SCHEMBL17214828 0.80 DAO (0.35)
SCHEMBL17214782 0.79
SCHEMBL17214849 0.79 RAB9A (0.37) CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902739-B2 Small molecule inhibitors of G protein coupled receptor 6 kinases polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-02-27 US disclosed
US-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 US disclosed
WO-2015164411-A9 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2016-05-26 WO disclosed
WO-2015164411-A2 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-10-29 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-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES GRK6, GRK2, GRK3 APP 4170/4885BRD4 790/4885CYP1A1 4847/4885

“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.