SCHEMBL213248

SCHEMBL213248

NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(=O)Nc1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.41
CYP3A4 P08684 1/20 0.39
SIRT1 Q96EB6 1/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
HDAC1 Q13547 1/20 0.37
STK33 Q9BYT3 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HDAC11 Q96DB2 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
AURKA O14965 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
FPR2 P25090 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL214739 0.88 KMT2A (0.48) CYP3A4SIRT1NPC1RAB9AHDAC1
SCHEMBL213526 0.86 SMN1; SMN2 (0.45) CYP3A4SIRT1NPC1RAB9AHDAC1
SCHEMBL213455 0.84 EGLN1 (0.42) CYP3A4SIRT1NPC1RAB9ASTK33
SCHEMBL216808 0.82 TP53 (0.42) CYP3A4NPC1RAB9AMEN1KMT2A
SCHEMBL214895 0.81 MAPT (0.41) CYP3A4NPC1RAB9ASTK33MEN1
SCHEMBL216500 0.80 CACNA1G (0.45) CYP3A4NPC1RAB9AMEN1KMT2A
SCHEMBL213365 0.80 TP53 (0.52) LCKCYP3A4NPC1RAB9AMEN1
SCHEMBL214023 0.80 HDAC11 (0.40) CYP3A4SIRT1HDAC1MEN1KMT2A
SCHEMBL214646 0.80 EPHB3 (0.44) CYP3A4SIRT1STK33MEN1KMT2A
SCHEMBL214714 0.80 MAPT (0.44) CYP3A4NPC1RAB9AMEN1KMT2A

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 LCK 26/4885CYP3A4 3666/4885SIRT1 4299/4885

“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.