SCHEMBL6016997

SCHEMBL6016997

CNc1nc(Nc2ccc3ccccc3c2)nc(N(C2CCCCCC2)C2CCN(C)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 4/20 0.43
ADORA3 P0DMS8 1/20 0.40
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
EHMT2 Q96KQ7 1/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
PIM1 P11309 1/20 0.36
CDK4 P11802 1/20 0.36
CCND3 P30281 1/20 0.36
GSK3B P49841 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPHX2 P34913 1/20 0.35
IGF1R P08069 1/20 0.34
JAK3 P52333 1/20 0.34
MAP4K1 Q92918 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
SCHEMBL6863750 0.81 EHMT2 (0.46) IDH2EHMT2CDK2CDK4
SCHEMBL6016904 0.81 BCL6 (0.48) GAAEHMT2EGFRLMNANPC1
SCHEMBL6642163 0.81 EHMT2 (0.46) IDH2EHMT2EGFR
SCHEMBL4836252 0.81 IDH2 (0.50) IDH2ADORA3EHMT2MAPTMAPK1
SCHEMBL6607397 0.81 IDH2 (0.53) IDH2ADORA3EHMT2JAK3RAB9A
Hydrochloric Acid SCHEMBL6611427 0.81 EHMT2 (0.46) IDH2EHMT2EGFR
Hydrochloric Acid SCHEMBL6611422 0.80 EHMT2 (0.45) IDH2EHMT2CCNA2CDK2CCNA1
SCHEMBL6608474 0.78 IDH2 (0.38) IDH2GAAL3MBTL1EHMT2CCNA2
SCHEMBL4832352 0.77 IDH2 (0.53) IDH2ADORA3GAAL3MBTL1EHMT2
SCHEMBL5422822 0.72 BCL6 (0.47) GAAL3MBTL1EHMT2CYP2D6CYP2C19

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-7132423-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-11-07 US disclosed
US-20040224950-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-11-11 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-20040224950-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS IDH2 2587/4885ADORA3 4352/4885GAA 852/4885

“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.