SCHEMBL213156

SCHEMBL213156

Cc1ccc(-n2cnc(C(N)=O)c2C(=O)NCc2ccccc2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MMP1 P03956 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 2/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 1/20 0.41
KLKB1 P03952 1/20 0.40

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
SCHEMBL216710 0.89 MMP13 (0.45) LMNATP53L3MBTL1MMP13NPC1
SCHEMBL214874 0.87 RAB9A (0.50) LMNATP53KMT2AL3MBTL1NPC1
SCHEMBL215671 0.81 MMP13 (0.47) LMNATP53KMT2AMEN1MMP13
SCHEMBL214146 0.76 NPC1 (0.47) LMNATP53KMT2AMEN1NPC1
SCHEMBL216596 0.74 PTGES (0.38) LMNATP53KMT2AMEN1POLB
SCHEMBL216647 0.73 NPC1 (0.54) KMT2AMEN1MMP9NPC1RAB9A
SCHEMBL214569 0.71 ALDH1A1 (0.47) LMNAKMT2AMEN1L3MBTL1HPGD
SCHEMBL216150 0.71 PRKCI (0.50) NPC1RAB9AMAPT
SCHEMBL214349 0.69 APEX1 (0.38) LMNATP53KMT2AMEN1POLB
SCHEMBL17666331 0.69 SMN1; SMN2 (0.70) TP53KMT2AMEN1NPC1RAB9A

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 6 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
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 4821/4885TP53 1743/4885KMT2A 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.