SCHEMBL3553566

SCHEMBL3553566

C[C@@H](c1ccccc1)N(C)c1cncc(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.45
AR P10275 4/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
PGR P06401 1/20 0.40
CDK2 P24941 2/20 0.38
CSF1R P07333 1/20 0.36
ALOX5 P09917 1/20 0.36
KDM4C Q9H3R0 2/20 0.34
HTR2A P28223 2/20 0.34
HRH1 P35367 2/20 0.34
DRD2 P14416 1/20 0.34
MTOR P42345 1/20 0.33
ALDH1A1 P00352 2/20 0.32
RPS6KB1 P23443 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL21258932 0.73 ALDH1A1 (0.50) JAK2CDK2HTR2AHRH1DRD2
SCHEMBL1678905 0.70 SMN1; SMN2 (0.56) CDK2ALDH1A1KDM4E
SCHEMBL21258985 0.68 ALDH1A1 (0.44) JAK2CDK2ALDH1A1KDM4E
SCHEMBL1678955 0.67 CSF1R (0.62) NUDT1CDK2CSF1RHTR2AHRH1
SCHEMBL3268357 0.67 NUDT1 (0.43) NUDT1CDK2CSF1RHTR2AHRH1
SCHEMBL1679576 0.67 CSF1R (0.62) NUDT1CDK2CSF1RHTR2AHRH1
SCHEMBL1991252 0.67 CSF1R (0.62) NUDT1CDK2CSF1RHTR2AHRH1
SCHEMBL31080147 0.67 NUDT1 (0.43) NUDT1CDK2CSF1RHTR2AHRH1
SCHEMBL18171880 0.66 NUDT1 (0.42) NUDT1ARJAK2JAK3PGR
SCHEMBL21258928 0.66 CDK2 (0.44) CDK2CSF1RHTR2AHRH1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689739-B1 AZOLE-BASED KINASE INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-03-30 EP disclosed
EP-1689739-B1 AZOLE-BASED KINASE INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-03-30 EP disclosed
US-7737143-B2 Substituted pyrazines as kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2010-06-15 US disclosed
US-7737143-B2 Substituted pyrazines as kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2010-06-15 US disclosed
US-7737143-B2 Substituted pyrazines as kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2010-06-15 US disclosed
US-20070099935-A1 such as 6-(1H-Benzimidazol-1-yl)-N-benzylpyrazin-2-amine, used as antidiabetic, anticarcinogenic and antiarthritic agents or for treating autoimmune diseases YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2007-05-03 US disclosed
US-20070099935-A1 such as 6-(1H-Benzimidazol-1-yl)-N-benzylpyrazin-2-amine, used as antidiabetic, anticarcinogenic and antiarthritic agents or for treating autoimmune diseases YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2007-05-03 US disclosed
US-20070099935-A1 such as 6-(1H-Benzimidazol-1-yl)-N-benzylpyrazin-2-amine, used as antidiabetic, anticarcinogenic and antiarthritic agents or for treating autoimmune diseases YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2007-05-03 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-20070099935-A1 such as 6-(1H-Benzimidazol-1-yl)-N-benzylpyrazin-2-amine, used as antidiabetic, anticarcinogenic and antiarthritic agents or for treating autoimmune diseases PRKACA, MAP3K6, PRKDC NUDT1 596/4885AR 2255/4885JAK2 208/4885

“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.