SCHEMBL17214834

SCHEMBL17214834

COc1ccc2cc(-c3ccc(-c4nnc(SCc5nnn[nH]5)[nH]4)o3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.36
CYP2E1 P05181 7/20 0.35
CYP2C8 P10632 7/20 0.35
CYP2D6 P10635 7/20 0.35
CYP2C9 P11712 7/20 0.35
CYP2B6 P20813 7/20 0.35
CYP2C19 P33261 7/20 0.35
CYP1A2 P05177 6/20 0.35
CYP3A4 P08684 6/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GRK6 P43250 1/20 0.34
BRS3 P32247 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL17214984 0.88 NOTUM (0.32) ABCB1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL17214786 0.84 GRK6 (0.35) NPC1RAB9AGRK6HTT
SCHEMBL17214831 0.82 PRKDC (0.33) NPC1CYP11B1CYP11B2
SCHEMBL17214840 0.82 APP (0.31)
SCHEMBL17214783 0.81 RXRA (0.33) NPC1RAB9ATDP1
SCHEMBL17215049 0.81 GRK6 (0.31) GRK6
SCHEMBL17214849 0.80 RAB9A (0.37) CYP2C19CYP1A2CYP3A4NPC1RAB9A
SCHEMBL17214991 0.79 CD274 (0.33) TSHR
SCHEMBL17214715 0.79 GRK6 (0.50) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL18539834 0.79 GRK6 (0.41) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4

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 ABCB1 3882/4885CYP2E1 4855/4885CYP2C8 4444/4885

“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.