SCHEMBL16631601

SCHEMBL16631601

Cc1[nH]c2nc(=O)n(C)cc2c1C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.33
LCK P06239 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL18081772 0.84 KDM4E (0.41) KDM4EALDH1A1KMT2APDE3BPDE3A
SCHEMBL16631529 0.83 KDM4E (0.33) KDM4EALDH1A1KMT2APDE3BPDE3A
SCHEMBL18081828 0.83 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL18081977 0.80 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL18081947 0.80 KDM4E (0.36) KDM4EALDH1A1KMT2A
SCHEMBL18080609 0.78 LCK (0.30) KDM4EKMT2ALCK
SCHEMBL18081798 0.77 JAK1 (0.41) KDM4EALDH1A1PDE3BPDE3A
SCHEMBL18081817 0.77 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL16631773 0.76 ADORA1 (0.51) KDM4EALDH1A1
SCHEMBL16631582 0.74 KDM4E (0.30) KDM4EALDH1A1

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 4189/4885KMT2A 3598/4885

“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.