SCHEMBL1353635

SCHEMBL1353635

COc1ccc(-n2ncc3cnc(Nc4cccc(OC)c4)nc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.66
USP2 O75604 12/20 0.60
CYP1A2 P05177 11/20 0.60
MEN1 O00255 9/20 0.60
KMT2A Q03164 9/20 0.60
CYP3A4 P08684 7/20 0.60
ALDH1A1 P00352 5/20 0.60
TSHR P16473 4/20 0.60
CYP2C19 P33261 3/20 0.60
CYP2C9 P11712 3/20 0.60
MAPK1 P28482 2/20 0.60
CLK4 Q9HAZ1 5/20 0.58
LMNA P02545 3/20 0.58
TBK1 Q9UHD2 1/20 0.54
PTK2 Q05397 1/20 0.54
CASP1 P29466 5/20 0.53
CASP7 P55210 5/20 0.53
HBB P68871 1/20 0.53
SYK P43405 1/20 0.53
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL1353618 0.90 EIF2AK4 (0.62) EIF2AK4USP2CYP1A2MEN1KMT2A
SCHEMBL1353776 0.87 EIF2AK4 (0.58) EIF2AK4USP2CYP1A2MEN1KMT2A
SCHEMBL1355283 0.86 EIF2AK4 (0.52) EIF2AK4USP2CYP1A2MEN1KMT2A
SCHEMBL1355771 0.85 EIF2AK4 (0.64) EIF2AK4USP2CYP1A2MEN1KMT2A
SCHEMBL1355147 0.85 TBK1 (0.61) EIF2AK4TBK1PTK2EGFR
SCHEMBL1356097 0.84 MAPT (0.52) EIF2AK4USP2CYP1A2MEN1KMT2A
SCHEMBL1356020 0.83 TBK1 (0.74) EIF2AK4CLK4TBK1PTK2FLT3
SCHEMBL1356007 0.83 EIF2AK4 (0.67) EIF2AK4USP2CYP1A2MEN1KMT2A
SCHEMBL1356186 0.83 EIF2AK4 (0.67) EIF2AK4USP2CYP1A2MEN1KMT2A
SCHEMBL1355858 0.83 EIF2AK4 (0.61) EIF2AK4USP2CYP1A2MEN1KMT2A

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 6 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
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 EIF2AK4 791/4885USP2 3248/4885CYP1A2 3612/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 EIF2AK4 791/4885USP2 3248/4885CYP1A2 3612/4885

“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.