SCHEMBL214560

SCHEMBL214560

Cc1ccc(-n2cnc(C(N)=O)c2C(=O)Nc2nc3cc(OCC(=O)NCc4ccccc4)ccc3[nH]2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.40
ROCK2 O75116 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
GLA P06280 1/20 0.38
HTT P42858 2/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
ADORA1 P30542 1/20 0.36
PKM P14618 1/20 0.36
DOT1L Q8TEK3 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
SCHEMBL213493 0.94 ROCK2 (0.39) MEN1KMT2AMAPTROCK2SMN1; SMN2
SCHEMBL214971 0.93 SMN1; SMN2 (0.41) MEN1KMT2AMAPTROCK2SMN1; SMN2
SCHEMBL216052 0.91 MAPT (0.46) MEN1KMT2AMAPTROCK2NPC1
SCHEMBL214443 0.89 MEN1 (0.38) MEN1KMT2AMAPTROCK2SMN1; SMN2
SCHEMBL215040 0.89 MEN1 (0.40) MEN1KMT2AMAPTROCK2SMN1; SMN2
SCHEMBL213250 0.83 ROCK2 (0.40) MEN1KMT2AMAPTROCK2NPC1
SCHEMBL213666 0.83 ALDH1A1 (0.38) MEN1KMT2AMAPTROCK2SMN1; SMN2
SCHEMBL214814 0.80 CHEK2 (0.40) MEN1KMT2AROCK2TP53
Hydrochloric Acid SCHEMBL215295 0.80 CHEK2 (0.40) MEN1KMT2AROCK2TP53
SCHEMBL216399 0.79 LMNA (0.45) MEN1KMT2AROCK2SMN1; SMN2ALDH1A1

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 MEN1 3504/4885KMT2A 437/4885MAPT 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.