SCHEMBL16631748

SCHEMBL16631748

Cc1cn2cc(C)c(=O)[nH]c2nc1=S

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.32
HPGD P15428 2/20 0.32
TK1 P04183 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
MAPT P10636 1/20 0.30
BRD4 O60885 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
SCHEMBL18080565 0.84 ALDH1A1 (0.32) ALDH1A1KDM4E
SCHEMBL16631767 0.81 MAPK1 (0.34) ALDH1A1KDM4EMAPK1RAB9AHPGD
SCHEMBL16631919 0.78 CRBN (0.34) RAB9A
SCHEMBL18081793 0.76 KDM4E (0.35) ALDH1A1KDM4ERAB9AHPGD
SCHEMBL16631752 0.73 KDM4E (0.33) ALDH1A1KDM4E
SCHEMBL18081777 0.73 KDM4E (0.33) ALDH1A1KDM4E
SCHEMBL16631762 0.69 HPGD (0.36) RAB9AHPGDMAPT
SCHEMBL16631914 0.67 ALDH1A1 (0.34) ALDH1A1KDM4ERAB9AHPGD
SCHEMBL25105413 0.64 TDP1 (0.39) ALDH1A1MAPK1RAB9AHPGD
SCHEMBL28369861 0.63 ALDH1A1 (0.43) ALDH1A1KDM4EMAPK1RAB9AHPGD

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 ALDH1A1 4189/4885KDM4E 4689/4885MAPK1 4185/4885

“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.