SCHEMBL16631681

SCHEMBL16631681

Cn1cc2c(=O)cc(C(F)(F)F)[nH]c2nc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.42
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
PABPC1 P11940 1/20 0.39
HSD17B10 Q99714 1/20 0.35
CSNK1D P48730 1/20 0.34
MAPK14 Q16539 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
RAD51 Q06609 1/20 0.33
ADORA2A P29274 2/20 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
SCHEMBL18081950 0.86 KDM4E (0.40) KDM4ECRHBPCRHR2MEN1KMT2A
SCHEMBL18080589 0.83 KDM4E (0.40) KDM4ECRHBPCRHR2MEN1KMT2A
SCHEMBL18081961 0.80 ADORA1 (0.35) ADORA2AADORA1
SCHEMBL16631773 0.78 ADORA1 (0.51) KDM4EHPGDALDH1A1LMNAHTT
SCHEMBL18080593 0.74 KDM4E (0.38) KDM4ECRHBPCRHR2MEN1KMT2A
SCHEMBL16631504 0.72 LMNA (0.44) KDM4ECRHBPCRHR2MEN1KMT2A
SCHEMBL18081915 0.72 PDE3B (0.31)
SCHEMBL16631939 0.72 PDE3B (0.31)
SCHEMBL18081904 0.71 NPC1 (0.33) HPGDLMNAHTTSMN1; SMN2CYP1A2
SCHEMBL16631582 0.70 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 4689/4885CRHBP 2157/4885CRHR2 4223/4885

“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.