SCHEMBL6133787

SCHEMBL6133787

Nc1ncc(-c2ccc(=O)[nH]n2)c(-c2ccsc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.39
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
ADORA2A P29274 5/20 0.36
ADORA1 P30542 4/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CYP1A2 P05177 1/20 0.36
CDC7 O00311 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
ADK P55263 1/20 0.34
CYP2A6 P11509 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6133973 0.84 ADORA1 (0.55) ADORA2AADORA1CDK5CDK5R1CYP1A2
SCHEMBL6133302 0.82 CYP1A2 (0.54) ADORA2AADORA1CYP1A2KMT2A
SCHEMBL6133777 0.80 ADORA1 (0.41) ADORA2AADORA1CYP1A2KMT2AMEN1
SCHEMBL6133854 0.80 LMNA (0.46) ADORA2AADORA1KMT2AMEN1LMNA
SCHEMBL6134411 0.80 LMNA (0.56) ADORA2AADORA1CYP1A2KMT2AMEN1
SCHEMBL6133920 0.79 ADORA1 (0.42) ADORA2AADORA1CYP1A2KMT2AMEN1
SCHEMBL6133337 0.78 HSP90AA1 (0.48) ADORA2AADORA1CDK5CDK5R1CYP1A2
SCHEMBL6133937 0.78 ADORA2A (0.39) CCNT1CCNA2CDK2CDK9ADORA2A
SCHEMBL6134640 0.78 GPR119 (0.47) CDK2ADORA2AADORA1CDK5CDK5R1
SCHEMBL6134248 0.78 ADORA2A (0.45) ADORA2AADORA1CYP1A2KMT2AMEN1

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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 US disclosed
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 MAPKAPK2 4285/4885CCNT1 987/4885CCNA2 903/4885

“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.