SCHEMBL16631385

SCHEMBL16631385

Cc1cc2c(F)cc(F)[nH]c-2nc1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 2/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PARP1 P09874 1/20 0.31
CDKN1A P38936 1/20 0.30
DHODH Q02127 1/20 0.30
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL18081781 0.89 FGFR1 (0.33) AMY1AMGAMGAASIMGAM2
SCHEMBL16631550 0.86 AMY1A (0.35) AMY1AMGAMGAASIMGAM2
SCHEMBL16631704 0.81 AMY1A (0.35) AMY1AMGAMGAASIMGAM2
SCHEMBL18081918 0.80 NOTUM (0.35) AMY1AKDM4EHPGDHSD17B10
SCHEMBL18080457 0.78 EIF4A3 (0.34)
SCHEMBL18081812 0.77 NPC1 (0.33) NPC1RAB9AATMERAP1KDM4E
SCHEMBL18081954 0.77 NPC1 (0.33) NPC1RAB9AATMERAP1KDM4E
SCHEMBL16631434 0.77 MGAM (0.33) MGAMGAASIMGAM2NPC1
SCHEMBL16631436 0.76 NPC1 (0.30) NPC1RAB9AATMERAP1
SCHEMBL16631392 0.76 NPC1 (0.30) NPC1RAB9AATMERAP1

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 AMY1A 4019/4885MGAM 2505/4885GAA 973/4885

“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.