SCHEMBL17214849

SCHEMBL17214849

c1cnc2ccc(-c3ccc(-c4nnc(SCc5nnn[nH]5)[nH]4)o3)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
GRM4 Q14833 1/20 0.36
DYRK1A Q13627 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
APOBEC3G Q9HC16 1/20 0.33
GSK3B P49841 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
TGFBR1 P36897 1/20 0.32
TGFBR2 P37173 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATR Q13535 1/20 0.31
PIK3CA P42336 2/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30

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
SCHEMBL17214836 0.88 GRM4 (0.36) GRM4DYRK1AKDM4EPIK3CAPIK3CD
SCHEMBL17214984 0.87 NOTUM (0.32) CYP1A2CYP3A4MAPTCYP2C19CYP1A1
SCHEMBL17214993 0.82 GSK3B (0.31) GSK3B
SCHEMBL17214831 0.81 PRKDC (0.33) NPC1
SCHEMBL17214794 0.81 ALDH1A1 (0.33)
SCHEMBL17214949 0.81 L3MBTL1 (0.36) CYP1A2CYP3A4MAPTCYP2C19KDM4E
SCHEMBL17214942 0.80 CYP2A6 (0.41) RAB9ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL17214828 0.80 DAO (0.35) CYP1A2CYP3A4MAPTCYP2C19KDM4E
SCHEMBL17215049 0.80 GRK6 (0.31)
SCHEMBL17214834 0.80 ABCB1 (0.36) RAB9ANPC1DYRK1ACYP1A2CYP3A4

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 RAB9A 1765/4885NPC1 4527/4885POLB 3966/4885

“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.