SCHEMBL6863750

SCHEMBL6863750

CNc1nc(Nc2ccc(OC)c(F)c2)nc(N(C2CCCCCC2)C2CCN(C)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 3/20 0.46
GALR1 P47211 7/20 0.46
GALR2 O43603 6/20 0.46
BCL6 P41182 2/20 0.42
IDH2 P48735 1/20 0.40
FGFR3 P22607 2/20 0.40
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
KCNH2 Q12809 1/20 0.39
EHMT1 Q9H9B1 2/20 0.38
PTK2 Q05397 1/20 0.38

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
SCHEMBL6016904 0.89 BCL6 (0.48) EHMT2BCL6
SCHEMBL6642163 0.89 EHMT2 (0.46) EHMT2BCL6IDH2FGFR3EHMT1
Hydrochloric Acid SCHEMBL6611427 0.88 EHMT2 (0.46) EHMT2BCL6IDH2FGFR3EHMT1
SCHEMBL4839396 0.88 GALR1 (0.47) GALR1GALR2BCL6CDK1CDK4
Hydrochloric Acid SCHEMBL6611422 0.87 EHMT2 (0.45) EHMT2BCL6IDH2FGFR3CDK2
SCHEMBL4836074 0.87 EHMT2 (0.49) EHMT2GALR1GALR2BCL6FGFR3
SCHEMBL4829436 0.83 EHMT2 (0.50) EHMT2GALR1GALR2BCL6IDH2
SCHEMBL6856715 0.83 EHMT2 (0.54) EHMT2GALR1GALR2BCL6IDH2
Hydrochloric Acid SCHEMBL5550552 0.82 EHMT2 (0.49) EHMT2GALR1GALR2BCL6IDH2
Bromide SCHEMBL6016985 0.82 EHMT2 (0.49) EHMT2GALR1GALR2BCL6IDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077648-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-04-22 US claimed

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-20040077648-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS EHMT2 2905/4885GALR1 961/4885GALR2 668/4885

“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.