SCHEMBL2735285

SCHEMBL2735285

O=C(Nc1cccc2c1CCCC2)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.44
NPC1 O15118 9/20 0.44
RAB9A P51151 9/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
PKM P14618 2/20 0.44
MAOB P27338 1/20 0.44
ADORA2A P29274 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.43
KLF5 Q13887 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
SCD O00767 1/20 0.41

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
SCHEMBL214024 0.88 MEN1 (0.42) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL2735268 0.83 GAA (0.65) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL2735280 0.83 GAA (0.55) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL2735295 0.82 MEN1 (0.50) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL2735274 0.82 NPC1 (0.51) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL214740 0.81 NPC1 (0.63) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL213249 0.81 NPC1 (0.50) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL2735283 0.81 SMN1; SMN2 (0.52) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL215244 0.81 ATM (0.45) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL2735306 0.81 MEN1 (0.50) KMT2AMEN1ALDH1A1HPGDGAA

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 disclosed
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
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US 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 KMT2A 437/4885MEN1 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.