SCHEMBL10104766

SCHEMBL10104766

Cc1cn(C)c(=O)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 2/20 0.45
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CREBBP Q92793 1/20 0.37
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
ALDH1A1 P00352 5/20 0.34
TDP1 Q9NUW8 2/20 0.34
CASP1 P29466 2/20 0.34
HSD17B10 Q99714 3/20 0.34
AURKA O14965 1/20 0.34
TTK P33981 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
BRD4 O60885 3/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33

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
SCHEMBL15535707 0.82 ATAD2 (0.45) ATAD2CYP3A4TSHRMAPK1CREBBP
SCHEMBL13481160 0.78 ATAD2 (0.39) ATAD2CREBBPBAZ2BBAZ2ABRD4
SCHEMBL24196406 0.76 BRD4 (0.42) ATAD2CREBBPAURKATTKAURKB
SCHEMBL18398640 0.74 CREBBP (0.38) ATAD2CYP3A4CREBBPBAZ2BBAZ2A
SCHEMBL21475934 0.73 MAP2K2 (0.39) ATAD2CREBBPBAZ2BBAZ2ABRD4
SCHEMBL12767251 0.73 BAZ2B (0.39) ATAD2CYP3A4TSHRMAPK1CREBBP
SCHEMBL28496280 0.73 ATAD2 (0.36) ATAD2CREBBPBAZ2BBAZ2ABRD4
SCHEMBL12261136 0.71 ATAD2 (0.35) ATAD2CYP3A4CREBBPBAZ2BBAZ2A
SCHEMBL24589146 0.71 BAZ2B (0.41) ATAD2CREBBPBAZ2BBAZ2ABRD4
SCHEMBL20802418 0.70 ALKBH5 (0.38) ATAD2CREBBPBAZ2BBAZ2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732110-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9675632-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-8163707-B2 4′-allene-substituted nucleoside derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20100074889-A1 4'-ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-03-25 US 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-20100074889-A1 4'-ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES CCNI, CCNA1, CDK1 ATAD2 3529/4885CYP3A4 403/4885TSHR 4215/4885

“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.