SCHEMBL3284138

SCHEMBL3284138

CCOC(=O)C1CCC(Nc2ncc(-c3ccccc3)c(-c3ccccc3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.53
ADORA2A P29274 3/20 0.53
ADORA2B P29275 1/20 0.53
MAPK8 P45983 3/20 0.49
MAPK9 P45984 3/20 0.49
CDK1 P06493 3/20 0.46
CDK4 P11802 3/20 0.46
CCND1 P24385 3/20 0.46
CDK2 P24941 3/20 0.46
MAPK10 P53779 2/20 0.45
PTK2 Q05397 1/20 0.44
KDM4E B2RXH2 2/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CDK9 P50750 1/20 0.42

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
SCHEMBL3284135 1.00 ADORA1 (0.53) ADORA1ADORA2AADORA2BMAPK8MAPK9
SCHEMBL3290820 0.84 ADORA1 (0.61) ADORA1ADORA2AADORA2BMAPK8MAPK9
SCHEMBL3290826 0.84 ADORA1 (0.61) ADORA1ADORA2AADORA2BMAPK8MAPK9
Bicarbonate SCHEMBL3908301 0.79 ADORA1 (0.69) ADORA1ADORA2AADORA2BMAPK8CDK2
SCHEMBL5444084 0.74 KDM4E (0.57) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5457077 0.74 KDM4E (0.57) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5444080 0.74 KDM4E (0.57) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL6456531 0.74 MCHR1 (0.59) MAPK8MAPK9CDK1CDK4CCND1
SCHEMBL6456524 0.74 MCHR1 (0.59) MAPK8MAPK9CDK1CDK4CCND1
SCHEMBL3284106 0.74 ADORA1 (0.46) ADORA1ADORA2AADORA2BCDK1CDK4

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-7713988-B2 4,5-diphenyl-pyrimidinylamino substituted carboxylic acids, method for the production and use thereof as medicaments SANOFI-AVENTIS (FR) 2010-05-11 US disclosed
US-20090149487-A1 4,5-DIPHENYL-PYRIMIDINYLAMINO SUBSTITUTED CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-06-11 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-20090149487-A1 4,5-DIPHENYL-PYRIMIDINYLAMINO SUBSTITUTED CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS GPR119, DPP4, SLC5A1 ADORA1 478/4885ADORA2A 950/4885ADORA2B 485/4885

“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.