SCHEMBL214573

SCHEMBL214573

Cc1ccc(Br)cc1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2cccc(OCCN3CCOCC3)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 3/20 0.39
INSR P06213 3/20 0.39
MAPK8 P45983 3/20 0.39
CAMKK2 Q96RR4 3/20 0.39
BTK Q06187 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDR P35968 2/20 0.34
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
JAK2 O60674 2/20 0.34
RECQL P46063 1/20 0.34
ALB P02768 1/20 0.34
MCL1 Q07820 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL214752 0.87 BTK (0.32) BTKKMT2AKDM4E
SCHEMBL213661 0.80 TOP2A (0.33)
SCHEMBL215286 0.78 LTA4H (0.46) CHUKINSRMAPK8CAMKK2ALDH1A1
SCHEMBL215894 0.76 POLB (0.36) CHUKALDH1A1MAPTHTTPOLB
SCHEMBL2735387 0.76 ALDH1A1 (0.39) CHUKINSRMAPK8CAMKK2ALDH1A1
SCHEMBL214317 0.75 LTA4H (0.41) CHUKINSRMAPK8CAMKK2KDR
SCHEMBL213324 0.74 LTA4H (0.46) ALDH1A1KDRJAK2KDM4E
SCHEMBL214638 0.74 PARP1 (0.35) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4104869 0.73
SCHEMBL214572 0.71 BTK (0.42) CHUKINSRMAPK8CAMKK2BTK

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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 (1 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 CHUK 79/4885INSR 1890/4885MAPK8 647/4885

“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.