SCHEMBL215672

SCHEMBL215672

Cc1cccc(CNC(=O)c2[nH]cnc2C(=O)Nc2ccccc2Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.66
ALDH1A1 P00352 6/20 0.66
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
KDM4E B2RXH2 4/20 0.66
MAPK1 P28482 1/20 0.66
HTT P42858 1/20 0.66
HSD17B10 Q99714 1/20 0.66
GAA P10253 3/20 0.57
TDP1 Q9NUW8 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALPL P05186 1/20 0.51
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.47
MMP13 P45452 1/20 0.47
LMNA P02545 1/20 0.47
PPARG P37231 1/20 0.46

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
SCHEMBL213157 0.81 MAPT (0.80) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL216711 0.74 ALDH1A1 (0.64) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL14222938 0.74 MMP13 (0.55) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL214875 0.72 ALDH1A1 (0.60) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL17142689 0.70 ALDH1A1 (0.59) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2735324 0.69 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL18715381 0.68 MMP13 (0.71) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL17703429 0.68 ALDH1A1 (0.86) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2735322 0.67 NPC1 (0.53) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL13373327 0.67 MMP13 (0.54) MAPTALDH1A1KMT2AKDM4EHTT

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 12 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-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 MAPT 2138/4885ALDH1A1 4295/4885MEN1 3504/4885

“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.