SCHEMBL16631921

SCHEMBL16631921

Cc1cn2c(F)cc(=O)[nH]c2nc1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 3/20 0.33
HPGD P15428 2/20 0.33
GFER P55789 1/20 0.33
TP53 P04637 2/20 0.32
CYP1A2 P05177 2/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
SLC11A2 P49281 1/20 0.31
HTT P42858 1/20 0.31
TNKS2 Q9H2K2 1/20 0.30
ALPL P05186 1/20 0.30
KMT2A Q03164 1/20 0.30
JAK1 P23458 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL16631914 0.84 ALDH1A1 (0.34) KDM4EALDH1A1GAASMN1; SMN2NPC1
SCHEMBL18081975 0.83 ALDH1A1 (0.45) KDM4EALDH1A1GAASMN1; SMN2NPC1
SCHEMBL18080557 0.81 CHEK1 (0.33)
SCHEMBL18081797 0.73 RAB9A (0.31) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL18081970 0.73 RAB9A (0.31) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL18081806 0.73 RAB9A (0.33) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL18080559 0.73 CHEK1 (0.31)
SCHEMBL16631770 0.69 KDM4E (0.32) KDM4EALDH1A1GAASMN1; SMN2NPC1
SCHEMBL18081964 0.68 CRBN (0.36) KDM4EALDH1A1GAA
SCHEMBL16631916 0.68 KDM4E (0.41) KDM4EALDH1A1GAASMN1; SMN2NPC1

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 KDM4E 4689/4885ALDH1A1 4189/4885GAA 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.