SCHEMBL214561

SCHEMBL214561

Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2nc3cc(OCC(=O)NCc4ccccc4)ccc3[nH]2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 2/20 0.51
HTT P42858 2/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 3/20 0.42
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39

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
SCHEMBL213494 0.94 KMT2A (0.43) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL215480 0.93 MAPT (0.44) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL216053 0.91 MAPT (0.47) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL2735365 0.89 MAPT (0.51) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL214444 0.89 KMT2A (0.41) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL215041 0.89 KMT2A (0.43) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL2735402 0.86 KMT2A (0.39) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL215377 0.85 ALDH1A1 (0.44) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL2735364 0.84 MAPT (0.43) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL2735367 0.83 KMT2A (0.45) MAPTALDH1A1KMT2AKDM4EMEN1

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 5 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-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 MAPT 2138/4885ALDH1A1 4295/4885KMT2A 437/4885

“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.