SCHEMBL1353776

SCHEMBL1353776

COc1ccc(-n2ncc3cnc(Nc4cccc(C(C)O)c4)nc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 4/20 0.58
▸ TBK1 Q9UHD2 2/20 0.49
▸ CYP1A2 P05177 7/20 0.47
▸ USP2 O75604 7/20 0.47
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ CYP3A4 P08684 6/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ TSHR P16473 4/20 0.47
▸ CYP2C9 P11712 3/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ FLT3 P36888 4/20 0.46
▸ EGFR P00533 3/20 0.46

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
SCHEMBL1353635 0.87 EIF2AK4 (0.66) EIF2AK4TBK1CYP1A2USP2MEN1
SCHEMBL1353618 0.86 EIF2AK4 (0.62) EIF2AK4TBK1CYP1A2USP2MEN1
SCHEMBL1355771 0.79 EIF2AK4 (0.64) EIF2AK4TBK1CYP1A2USP2MEN1
SCHEMBL1356007 0.79 EIF2AK4 (0.67) EIF2AK4TBK1CYP1A2USP2MEN1
SCHEMBL1355147 0.79 TBK1 (0.61) EIF2AK4TBK1EGFRPTK2AURKA
SCHEMBL1356019 0.79 EIF2AK4 (0.61) EIF2AK4TBK1CYP1A2USP2MEN1
SCHEMBL1355858 0.79 EIF2AK4 (0.61) EIF2AK4TBK1CYP1A2USP2MEN1
SCHEMBL1356682 0.79 EIF2AK4 (0.61) EIF2AK4TBK1CYP1A2USP2MEN1
SCHEMBL1355283 0.78 EIF2AK4 (0.52) EIF2AK4CYP1A2USP2MEN1KMT2A
SCHEMBL1356020 0.77 TBK1 (0.74) EIF2AK4TBK1FLT3CLK4PTK2

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
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

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 791/4885TBK1 1295/4885CYP1A2 3612/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 EIF2AK4 791/4885TBK1 1295/4885CYP1A2 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.

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