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.

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