SCHEMBL1356787

SCHEMBL1356787

COc1ccc(C(=O)Nc2ccc(Nc3ncc4cnn(-c5ccc(OC)cc5)c4n3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.60
AURKA O14965 1/20 0.56
FLT3 P36888 5/20 0.52
RAB9A P51151 5/20 0.51
NPC1 O15118 5/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
EGFR P00533 3/20 0.49
BLK P51451 1/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
NR4A1 P22736 1/20 0.49
MCL1 Q07820 1/20 0.49
TBK1 Q9UHD2 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 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
SCHEMBL1353786 0.90 EIF2AK4 (0.62) EIF2AK4AURKAFLT3EGFRBLK
SCHEMBL1355646 0.90 FLT3 (0.64) EIF2AK4FLT3RAB9ANPC1POLB
SCHEMBL1355573 0.86 EIF2AK4 (0.61) EIF2AK4AURKAFLT3EGFRBLK
SCHEMBL1355069 0.86 EIF2AK4 (0.61) EIF2AK4AURKAFLT3EGFRBLK
SCHEMBL1356007 0.85 EIF2AK4 (0.67) EIF2AK4AURKAFLT3EGFRBLK
SCHEMBL1355579 0.84 EIF2AK4 (0.56) EIF2AK4AURKAFLT3RAB9ANPC1
SCHEMBL1356216 0.84 EIF2AK4 (0.59) EIF2AK4AURKAFLT3EGFRBLK
SCHEMBL1356722 0.84 EIF2AK4 (0.56) EIF2AK4FLT3EGFRBLKMAPT
SCHEMBL1355884 0.84 EIF2AK4 (0.60) EIF2AK4FLT3RAB9ANPC1EGFR
SCHEMBL1356186 0.83 EIF2AK4 (0.67) EIF2AK4AURKAFLT3EGFRBLK

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 791/4885AURKA 9/4885FLT3 766/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 EIF2AK4 791/4885AURKA 9/4885FLT3 766/4885

“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.