SCHEMBL1355834

SCHEMBL1355834

OCCCNc1[c]cccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
RAD52 P43351 1/20 0.42
KCNH3 Q9ULD8 3/20 0.40
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
CDC25A P30304 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CYP19A1 P11511 1/20 0.34
NUDT1 P36639 1/20 0.34
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33

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
SCHEMBL1355267 0.88 KDM4E (0.42) POLBRAD52KCNH3MAPTLMNA
SCHEMBL2328585 0.81 ALDH1A1 (0.40) KCNH3MAPTLMNAHTTALDH1A1
SCHEMBL3123962 0.80 NPC1 (0.46) POLBRAD52ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1414746 0.79 KCNH3 (0.42) KCNH3MAPTLMNAHTTALDH1A1
SCHEMBL2532577 0.78 PRKD3 (0.36) PRKD3PRKCGPRKACAPRKCD
SCHEMBL6131249 0.78 LMNA (0.42) KCNH3MAPTLMNAHTTALDH1A1
SCHEMBL1974600 0.78 LMNA (0.42) KCNH3MAPTLMNAHTTALDH1A1
SCHEMBL5612995 0.78 LMNA (0.42) KCNH3MAPTLMNAHTTALDH1A1
SCHEMBL6131239 0.78 LMNA (0.42) KCNH3MAPTLMNAHTTALDH1A1
SCHEMBL2874809 0.78 LMNA (0.42) KCNH3MAPTLMNAHTTALDH1A1

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 10 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
CN-101616920-A The 1-H-pyrazolo (3,4b) pyrimidine derivatives and as the purposes of mitotic kinase conditioning agent BIOGEN IDEC INC 2009-12-30 CN 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
CN-101616920-A The 1-H-pyrazolo (3,4b) pyrimidine derivatives and as the purposes of mitotic kinase conditioning agent BIOGEN IDEC INC 2009-12-30 CN 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 POLB 641/4885RAD52 1086/4885KCNH3 2462/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 POLB 641/4885RAD52 1086/4885KCNH3 2462/4885

“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.