SCHEMBL215251

SCHEMBL215251

NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(=O)Nc1cc(CO)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.37
EGLN1 Q9GZT9 1/20 0.37
MAPT P10636 4/20 0.36
HTT P42858 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
DUSP3 P51452 1/20 0.36
BLM P54132 1/20 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
SCHEMBL213455 0.87 EGLN1 (0.42) EGLN1MAPTHTTALDH1A1KDM4E
SCHEMBL215203 0.82 STK33 (0.40) EGLN1MAPTHTTALDH1A1MEN1
SCHEMBL214895 0.81 MAPT (0.41) MAPTHTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL214042 0.80 MAPT (0.43) MAPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL214646 0.80 EPHB3 (0.44) MAPTHTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL213248 0.80 LCK (0.41) HDAC1MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL214739 0.80 KMT2A (0.48) HDAC1MAPTHTTALDH1A1KDM4E
SCHEMBL213526 0.78 SMN1; SMN2 (0.45) HDAC1MAPTHTTALDH1A1KDM4E
SCHEMBL214470 0.77 KDM1A (0.44) MAPTLMNA
SCHEMBL216500 0.77 CACNA1G (0.45) MAPTHTTALDH1A1KDM4ESMN1; SMN2

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 HDAC1 2196/4885EGLN1 2341/4885MAPT 2138/4885

“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.