SCHEMBL1355401

SCHEMBL1355401

CSc1ncc2cnn(Cc3cccc([N+](=O)[O-])c3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
MGLL Q99685 1/20 0.42
ABHD6 Q9BV23 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
HTT P42858 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39

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
SCHEMBL1356145 0.86 ADORA2A (0.44) KMT2AMAPTL3MBTL1ADORA2AADORA1
SCHEMBL14810942 0.83 ADORA2A (0.50) KMT2AMAPTL3MBTL1ADORA2AADORA1
SCHEMBL31124459 0.83 ADORA2A (0.48) KMT2AMAPTL3MBTL1ADORA2AADORA1
SCHEMBL1356094 0.82 ADORA2A (0.47) KMT2AMAPTL3MBTL1ADORA2AADORA1
SCHEMBL1353828 0.78 ADORA2A (0.46) KMT2AADORA2AADORA1TSHRPOLB
SCHEMBL14812164 0.76 JAK3 (0.53) ADORA2AADORA1
SCHEMBL14812087 0.74 TSHR (0.48) KMT2AMAPTL3MBTL1ADORA2AADORA1
SCHEMBL1356280 0.73 NPBWR1 (0.45) MAPTHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL17193676 0.69 ALDH1A1 (0.48) MAPTL3MBTL1ADORA2AADORA1MGLL
SCHEMBL29730634 0.69 ALDH1A1 (0.48) MAPTL3MBTL1ADORA2AADORA1MGLL

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 7 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 disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US disclosed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 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
EP-2108019-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
WO-2008094575-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 (3 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 KMT2A 1137/4885MAPT 733/4885L3MBTL1 2628/4885
US-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B KMT2A 1679/4885MAPT 162/4885L3MBTL1 2290/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 KMT2A 1137/4885MAPT 733/4885L3MBTL1 2628/4885

“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.