SCHEMBL1356705

SCHEMBL1356705

[CH2]c1cccc(NC(=O)CN(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.48
NPY5R Q15761 3/20 0.48
TNKS O95271 1/20 0.48
PARP1 P09874 1/20 0.48
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PARP12 Q9H0J9 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
PARP4 Q9UKK3 1/20 0.48
PARP3 Q9Y6F1 1/20 0.48
MAPT P10636 2/20 0.48
CCNT1 O60563 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CDK9 P50750 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL1353595 0.84 KMT2A (0.48) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL19675985 0.82 POLB (0.50) MAP4K4NPY5RTNKSPARP1PARP15
SCHEMBL13102519 0.82 HPGD (0.62) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL7214863 0.81 POLB (0.43) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL3686435 0.81 KMT2A (0.61) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL2337206 0.81 ALDH1A1 (0.60) MAP4K4NPY5RTNKSPARP1PARP15
SCHEMBL12655114 0.79 MAPT (0.62) NPY5RMAPTMEN1KMT2ALMNA
SCHEMBL7049647 0.79 MAPT (0.60) MAPTTAAR1ALDH1A1L3MBTL1
SCHEMBL7362634 0.79 CA1 (0.60) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL23991801 0.78 POLB (0.70) MAPTMEN1KMT2ALMNAPOLB

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
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP claimed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US disclosed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP disclosed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 MAP4K4 67/4885NPY5R 4514/4885TNKS 519/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 MAP4K4 67/4885NPY5R 4514/4885TNKS 519/4885

“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.