SCHEMBL217226

SCHEMBL217226

Cc1ccc(NC(=O)c2ncn(-c3nc4ccccc4[nH]3)c2C(N)=O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
ALDH1A1 P00352 6/20 0.48
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
MAPT P10636 5/20 0.48
KDM4E B2RXH2 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
HTT P42858 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HPGD P15428 2/20 0.48
AHR P35869 1/20 0.48
RECQL P46063 1/20 0.48
TP53 P04637 2/20 0.42
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
OPRK1 P41145 1/20 0.40
KLF5 Q13887 1/20 0.40
THRB P10828 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
SCHEMBL216491 0.94 NTRK1 (0.47) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL214714 0.91 MAPT (0.44) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL213393 0.89 MAPT (0.46) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL215549 0.89 NPC1 (0.41) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL216069 0.87 MPO (0.47) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL215784 0.87 MPO (0.49) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL215595 0.87 ALDH1A1 (0.46) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL215002 0.86 PIK3CD (0.43) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL215893 0.86 MAPT (0.43) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL214938 0.86 MAPT (0.47) MEN1KMT2AALDH1A1NPC1RAB9A

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 4 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-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 437/4885ALDH1A1 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.