SCHEMBL1355283

SCHEMBL1355283

COc1cccc(-n2ncc3cnc(Nc4cccc(O)c4)nc32)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.52
CYP1A2 P05177 9/20 0.50
USP2 O75604 8/20 0.50
CLK4 Q9HAZ1 6/20 0.50
CYP3A4 P08684 6/20 0.50
CYP2C19 P33261 4/20 0.50
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
CYP2C9 P11712 5/20 0.49
TSHR P16473 5/20 0.49
ALDH1A1 P00352 4/20 0.49
AURKA O14965 2/20 0.49
PTK2 Q05397 1/20 0.49
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
XBP1 P17861 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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 0.92 EIF2AK4 (0.62) EIF2AK4CYP1A2USP2CLK4CYP3A4
SCHEMBL1353652 0.87 CDK4 (0.54) EIF2AK4CYP1A2USP2CLK4CYP3A4
SCHEMBL1355878 0.87 EIF2AK4 (0.49) EIF2AK4CYP1A2USP2CLK4CYP3A4
SCHEMBL1353635 0.86 EIF2AK4 (0.66) EIF2AK4CYP1A2USP2CLK4CYP3A4
SCHEMBL1356097 0.85 MAPT (0.52) EIF2AK4CYP1A2USP2CLK4CYP3A4
SCHEMBL1355227 0.85 CDK4 (0.47) EIF2AK4MEN1KMT2AALDH1A1AURKA
SCHEMBL1355529 0.84 EIF2AK4 (0.53) EIF2AK4CYP1A2USP2CLK4CYP3A4
SCHEMBL1356016 0.82 GSK3B (0.58) EIF2AK4CYP1A2USP2CLK4CYP3A4
SCHEMBL1353632 0.82 EIF2AK4 (0.50) EIF2AK4ALDH1A1PTK2KDM4EMAPT
SCHEMBL1355678 0.81 TUBB4A (0.48) EIF2AK4CYP1A2USP2CLK4CYP3A4

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 4 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

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

“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.