SCHEMBL5037808

SCHEMBL5037808

CNc1nc(NC2CC2)nc(N(c2ccc3ccccc3c2)C2CCN(C)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.43
EPHX2 P34913 6/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2D6 P10635 1/20 0.35
EHMT2 Q96KQ7 2/20 0.34
EHMT1 Q9H9B1 1/20 0.34
CCNK O75909 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
PDE4A P27815 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
CDK1 P06493 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
SCHEMBL4832352 0.75 IDH2 (0.53) IDH2EHMT2EHMT1IRAK4
SCHEMBL5420949 0.74 EHMT2 (0.36) IDH2EPHX2CYP3A4CYP2C9CYP2D6
SCHEMBL6919068 0.73 BCL6 (0.41) IDH2CYP3A4CYP2C9CYP2D6EHMT2
SCHEMBL5553438 0.72 NMT1 (0.38) EHMT2EHMT1HRH4
SCHEMBL6016997 0.71 IDH2 (0.43) IDH2EPHX2CYP3A4CYP2C9CYP2D6
SCHEMBL4836252 0.71 IDH2 (0.50) IDH2EHMT2EHMT1IRAK4
SCHEMBL6607397 0.69 IDH2 (0.53) IDH2EHMT2EHMT1IRAK4
SCHEMBL6233712 0.68 ALDH1A1 (0.39) EHMT2EHMT1HRH4
SCHEMBL5032272 0.67 SMN1; SMN2 (0.48) CYP3A4CYP2C9CYP2D6EHMT2EHMT1
SCHEMBL6608704 0.66 UBE2M (0.36) EHMT2EHMT1OPRD1

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-7332490-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-20060258641-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-11-16 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-20060258641-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS IDH2 2587/4885EPHX2 2856/4885CYP3A4 4862/4885

“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.