SCHEMBL213458

SCHEMBL213458

Cc1ccc(Cl)c(C)c1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
MAPT P10636 8/20 0.41
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
TDP1 Q9NUW8 4/20 0.38
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 4/20 0.38
HTT P42858 3/20 0.38
KDM4E B2RXH2 4/20 0.37
TP53 P04637 3/20 0.37
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
FPR1 P21462 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 2/20 0.36
PDE10A Q9Y233 1/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 2/20 0.35

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
SCHEMBL214976 0.87 LCK (0.44) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL214450 0.86 LMNA (0.54) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL214938 0.84 MAPT (0.47) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL213498 0.83 LMNA (0.47) LMNAMAPTKMT2AHTTTP53
SCHEMBL217153 0.83 SOAT1 (0.40) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL214646 0.83 EPHB3 (0.44) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL214714 0.83 MAPT (0.44) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL213712 0.83 MAPT (0.46) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL215595 0.83 ALDH1A1 (0.46) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL216491 0.82 NTRK1 (0.47) MAPTMEN1KMT2ATDP1ALDH1A1

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 LMNA 4821/4885MAPT 2138/4885MEN1 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.