SCHEMBL214661

SCHEMBL214661

Cc1cc(NC(=O)c2[nH]cnc2C(=O)Nc2cc(Br)ccc2C)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
MAPT P10636 5/20 0.46
ALDH1A1 P00352 8/20 0.45
KMT2A Q03164 7/20 0.45
KDM4E B2RXH2 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 5/20 0.45
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL2735388 0.86 GAA (0.49) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL215408 0.85 GAA (0.49) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL2735464 0.84 GAA (0.45) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL2735399 0.84 GAA (0.45) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL214865 0.83 GAA (0.47) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL14222316 0.82 GAA (0.54) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL215229 0.82 MAPT (0.63) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL213976 0.82 MAPT (0.71) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL215825 0.82 MAPT (0.57) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL213992 0.81 GAA (0.49) GAAMAPTALDH1A1KMT2AKDM4E

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 disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
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
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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 GAA 2375/4885MAPT 2138/4885ALDH1A1 4295/4885

“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.