SCHEMBL1902142

SCHEMBL1902142

CCOC(=O)CNc1ncnc2scc(-c3ccccc3)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CCNC P24863 1/20 0.57
CDK8 P49336 1/20 0.57
KMT2A Q03164 3/20 0.56
MAPK1 P28482 2/20 0.55
TNF P01375 1/20 0.55
NOD1 Q9Y239 1/20 0.55
PRNP P04156 1/20 0.55
LMNA P02545 4/20 0.54
CSNK2A2 P19784 2/20 0.54
CSNK2B P67870 2/20 0.54
CSNK2A1 P68400 2/20 0.54
THRB P10828 1/20 0.54
PTPN5 P54829 1/20 0.54
MEN1 O00255 2/20 0.53
FGFR1 P11362 2/20 0.52

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
SCHEMBL2368397 0.90 PRNP (0.64) ALDH1A1KDM4ERXFP1ATML3MBTL1
SCHEMBL5789044 0.85 ATM (0.65) ALDH1A1KDM4ERXFP1ATML3MBTL1
SCHEMBL3386912 0.84 ALDH1A1 (0.67) ALDH1A1KDM4ERXFP1ATML3MBTL1
SCHEMBL3388077 0.80 MAPK1 (0.57) ALDH1A1KDM4ERXFP1ATML3MBTL1
SCHEMBL2368203 0.77 ALDH1A1 (0.69) ALDH1A1KDM4ERXFP1ATML3MBTL1
SCHEMBL2368993 0.76 CCNC (0.65) ALDH1A1KDM4ERXFP1ATML3MBTL1
SCHEMBL2368421 0.76 MAPK1 (0.63) ALDH1A1KDM4ERXFP1ATML3MBTL1
SCHEMBL2369277 0.75 CCNC (0.78) ALDH1A1KDM4ERXFP1CCNCCDK8
SCHEMBL1899788 0.75 ALDH1A1 (0.72) ALDH1A1KDM4ERXFP1ATML3MBTL1
SCHEMBL3169227 0.74 MAPK1 (0.65) ALDH1A1KDM4ERXFP1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320904-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-18 EP disclosed
WO-2010030757-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
WO-2010030757-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 ALDH1A1 1332/4885KDM4E 1755/4885RXFP1 1901/4885

“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.