SCHEMBL1356145

SCHEMBL1356145

CSc1ncc2cnn(Cc3ccc([N+](=O)[O-])cc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
NR2F2 P24468 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
TNFSF10 P50591 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
GLS O94925 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
SCHEMBL1355401 0.86 KMT2A (0.48) ADORA2AADORA1SMN1; SMN2KDM4EKMT2A
SCHEMBL1355782 0.80 ADORA2A (0.43) ADORA2AADORA1SMN1; SMN2KMT2ALMNA
SCHEMBL1353828 0.79 ADORA2A (0.46) ADORA2AADORA1KDM4EKMT2AMEN1
SCHEMBL1356280 0.79 NPBWR1 (0.45) SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL29616987 0.78 ADORA2A (0.47) ADORA2AADORA1SMN1; SMN2KDM4EMAPK1
SCHEMBL17925408 0.76 KMT2A (0.49) SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL29616947 0.74 ADORA2A (0.53) ADORA2AADORA1KMT2ALMNAMEN1
SCHEMBL29616953 0.72 ADORA2A (0.44) ADORA2AADORA1KMT2ALMNAMEN1
SCHEMBL12631790 0.72 XDH (0.36) ADORA1KDM4EKMT2AMEN1
SCHEMBL8487277 0.71 ALDH1A1 (0.48) SMN1; SMN2KDM4ENPC1NR2F2MAPK1

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-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
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
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 ADORA2A 4608/4885ADORA1 4323/4885SMN1; SMN2 2274/4885
US-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B ADORA2A 4496/4885ADORA1 4010/4885SMN1; SMN2 1911/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 ADORA2A 4608/4885ADORA1 4323/4885SMN1; SMN2 2274/4885

“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.