SCHEMBL214626

SCHEMBL214626

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccc(OC3CCN(C(=O)O)CC3)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 1/20 0.37
CHEK2 O96017 2/20 0.36
GAA P10253 1/20 0.35
USP2 O75604 1/20 0.35
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL10268072 0.92 ALDH1A1 (0.39) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL214329 0.91 HRH4 (0.41) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL216022 0.91 CHEK2 (0.46) ALDH1A1MAPTKMT2ACHEK2MEN1
SCHEMBL2735449 0.90 ALDH1A1 (0.41) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL4110599 0.86 HRH4 (0.42) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL14222300 0.85 KMT2A (0.44) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL214816 0.85 KMT2A (0.44) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL214824 0.84 ALDH1A1 (0.41) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL2735463 0.84 GAA (0.47) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL213801 0.83 ALDH1A1 (0.40) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2

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-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 KDM4E 952/4885ALDH1A1 4295/4885MAPT 2138/4885

“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.