SCHEMBL3308151

SCHEMBL3308151

CCN(C(O)=S)c1nc2c(s1)C(=O)C(C(=O)c1cccnc1)CC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
KDM4E B2RXH2 4/20 0.37
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
S1PR1 P21453 2/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
NPC1 O15118 1/20 0.32
GFER P55789 1/20 0.32
TP53 P04637 2/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL3308142 0.90 HTT (0.39) HTTKDM4EMAPTL3MBTL1MEN1
SCHEMBL3309734 0.84 KDM4E (0.40) KDM4EMAPTL3MBTL1MEN1KMT2A
SCHEMBL3310229 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3277199 0.78 ALDH1A1 (0.46) HTTKDM4EMAPTL3MBTL1MEN1
SCHEMBL3273645 0.75 ALDH1A1 (0.47) KDM4EMAPTL3MBTL1MEN1KMT2A
SCHEMBL798617 0.75 PIK3CG (0.49) KDM4EMAPTL3MBTL1MEN1KMT2A
SCHEMBL10103042 0.74 RAB9A (0.42) KDM4EMAPTL3MBTL1MEN1KMT2A
SCHEMBL10103040 0.73 ALDH1A1 (0.45) HTTKDM4EMAPTL3MBTL1MEN1
SCHEMBL10111227 0.73 ALDH1A1 (0.45) KDM4EMAPTL3MBTL1MEN1KMT2A
SCHEMBL3277195 0.73 ALDH1A1 (0.47) KDM4EMAPTL3MBTL1MEN1KMT2A

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-8318751-B2 Pyrimidinone derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 US disclosed
US-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2010-05-06 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 (2 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-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GPR180, GPR17 HTT 2039/4885KDM4E 2301/4885MAPT 4832/4885
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES MKI67, CYP11B1, IGF1R HTT 1528/4885KDM4E 3378/4885MAPT 1919/4885

“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.