SCHEMBL213455

SCHEMBL213455

NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(=O)Nc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.42
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 3/20 0.37
PKM P14618 2/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
AURKA O14965 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
STK33 Q9BYT3 2/20 0.36

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
SCHEMBL215251 0.87 HDAC1 (0.37) EGLN1MEN1KMT2AMAPTALDH1A1
SCHEMBL214895 0.85 MAPT (0.41) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL214739 0.84 KMT2A (0.48) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL213248 0.84 LCK (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL215203 0.83 STK33 (0.40) EGLN1MEN1KMT2AMAPTALDH1A1
SCHEMBL213526 0.83 SMN1; SMN2 (0.45) KMT2AMAPTALDH1A1HTTNPSR1
SCHEMBL214470 0.83 KDM1A (0.44) MAPTLMNA
SCHEMBL214646 0.82 EPHB3 (0.44) MEN1KMT2AMAPTALDH1A1TDP1
Hydrochloric Acid SCHEMBL213798 0.82 KDM1A (0.43) MAPTLMNA
SCHEMBL216247 0.81 CHEK2 (0.43) MAPTLMNA

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 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-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 EGLN1 2341/4885MEN1 3504/4885KMT2A 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.