SCHEMBL213498

SCHEMBL213498

COc1cccc(C)c1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
PAX8 Q06710 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 2/20 0.40
TNKS O95271 1/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 1/20 0.39
HPSE Q9Y251 1/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AMY1A P0DUB6 1/20 0.38

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
SCHEMBL215674 0.95 LMNA (0.47) LMNAMAPTHTTMAPK1NPC1
SCHEMBL214034 0.90 HTT (0.44) LMNAMAPTHTTMAPK1NPC1
SCHEMBL217153 0.86 SOAT1 (0.40) LMNAMAPTHTTMAPK1TP53
SCHEMBL216808 0.84 TP53 (0.42) LMNAMAPTHTTMAPK1NPC1
SCHEMBL214714 0.84 MAPT (0.44) LMNAMAPTHTTMAPK1NPC1
SCHEMBL215595 0.84 ALDH1A1 (0.46) LMNAMAPTHTTNPC1RAB9A
SCHEMBL213458 0.83 LMNA (0.41) LMNAMAPTHTTMAPK1NPC1
SCHEMBL216364 0.83 NTRK1 (0.49) LMNAMAPTHTTMAPK1NPC1
SCHEMBL213393 0.82 MAPT (0.46) LMNAMAPTHTTMAPK1NPC1
SCHEMBL215132 0.82 CYP3A4 (0.44) LMNAMAPTHTTNPC1RAB9A

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 8 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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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 4821/4885MAPT 2138/4885HTT 1059/4885

“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.