SCHEMBL213658

SCHEMBL213658

NC(=O)c1c(C(=O)Nc2c(F)cccc2Cl)ncn1-c1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 2/20 0.37
EGLN1 Q9GZT9 1/20 0.36
DGAT1 O75907 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PTGES O14684 1/20 0.35
CACNA1H O95180 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 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
SCHEMBL214460 0.94 TP53 (0.39) MAPTMEN1ALDH1A1KMT2ATDP1
SCHEMBL213712 0.90 MAPT (0.46) MAPTMEN1ALDH1A1HTTKMT2A
SCHEMBL214976 0.84 LCK (0.44) MAPTMEN1ALDH1A1HTTKMT2A
SCHEMBL215132 0.84 CYP3A4 (0.44) MAPTMEN1ALDH1A1HTTKMT2A
SCHEMBL215084 0.81 MAPT (0.43) MAPTMEN1ALDH1A1HTTKMT2A
SCHEMBL214433 0.80 MEN1 (0.42) MAPTMEN1ALDH1A1HTTKMT2A
SCHEMBL215203 0.79 STK33 (0.40) MAPTMEN1ALDH1A1HTTKMT2A
SCHEMBL214034 0.78 HTT (0.44) MAPTMEN1ALDH1A1HTTKMT2A
SCHEMBL214646 0.76 EPHB3 (0.44) MAPTMEN1ALDH1A1HTTKMT2A
SCHEMBL214938 0.76 MAPT (0.47) MAPTMEN1ALDH1A1HTTKMT2A

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 6 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
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 2138/4885MEN1 3504/4885ALDH1A1 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.