SCHEMBL4046216

SCHEMBL4046216

CC(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C1CCCN1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.52
PKM P14618 3/20 0.49
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.47
IDO1 P14902 1/20 0.47
GAA P10253 4/20 0.46
ADAM17 P78536 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
RRM1 P23921 1/20 0.44
RRM2B Q7LG56 1/20 0.44
GLO1 Q04760 1/20 0.42
GFER P55789 1/20 0.41
TP53 P04637 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL687482 0.83 PKM (0.60) SMYD3PKMTDP1MAPTIDO1
SCHEMBL4049071 0.77 SMYD3 (0.46) SMYD3PKMTDP1MAPTIDO1
SCHEMBL24152532 0.74 MEN1 (0.60) SMYD3PKMTDP1MAPTIDO1
SCHEMBL689118 0.74 PKM (0.64) SMYD3PKMTDP1MAPTIDO1
SCHEMBL5842119 0.73 SMYD3 (0.79) SMYD3PKMTDP1MAPTIDO1
SCHEMBL5841363 0.73 SMYD3 (0.79) SMYD3PKMTDP1MAPTIDO1
SCHEMBL5843084 0.73 SMYD3 (0.88) SMYD3PKMTDP1MAPTIDO1
SCHEMBL5841238 0.72 SMYD3 (0.77) SMYD3PKMTDP1MAPTIDO1
SCHEMBL30437651 0.71 SMYD3 (0.64) SMYD3PKMTDP1MAPTIDO1
SCHEMBL4221206 0.71 BRD4 (0.66) SMYD3PKMTDP1MAPTIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1669071-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2009-07-22 EP disclosed
US-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-7112675-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 US disclosed
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-06-15 US disclosed
EP-1669071-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-14 EP disclosed
EP-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP disclosed
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 US disclosed
EP-1183033-A4 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2002-07-17 EP disclosed
EP-1183033-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-06 EP disclosed
WO-2000071129-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-30 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 (2 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-20060128709-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 SMYD3 4730/4885PKM 1747/4885TDP1 1236/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 SMYD3 4730/4885PKM 1747/4885TDP1 1236/4885

“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.