SCHEMBL216093

SCHEMBL216093

COc1ccc(NC(=O)c2ncn(-c3nc4ccccc4[nH]3)c2C(N)=O)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NTRK1 P04629 1/20 0.49
NTRK2 Q16620 1/20 0.49
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 3/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.44
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL214763 0.93 NTRK1 (0.49) MAPTSMN1; SMN2NTRK1NTRK2ALDH1A1
SCHEMBL213393 0.92 MAPT (0.46) MAPTSMN1; SMN2NTRK1NTRK2ALDH1A1
SCHEMBL214139 0.90 MAPT (0.49) MAPTSMN1; SMN2NTRK1NTRK2KDM4E
SCHEMBL214042 0.89 MAPT (0.43) MAPTSMN1; SMN2NTRK1NTRK2ALDH1A1
SCHEMBL216561 0.87 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL216364 0.86 NTRK1 (0.49) MAPTSMN1; SMN2NTRK1NTRK2ALDH1A1
SCHEMBL213500 0.85 NTRK1 (0.50) MAPTSMN1; SMN2NTRK1NTRK2ALDH1A1
SCHEMBL215674 0.85 LMNA (0.47) MAPTSMN1; SMN2HSD17B10KMT2AHTT
SCHEMBL213795 0.83 HSD17B10 (0.49) MAPTSMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL217226 0.83 MEN1 (0.48) MAPTSMN1; SMN2NTRK1ALDH1A1KDM4E

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 MAPT 2138/4885SMN1; SMN2 2516/4885NTRK1 2514/4885

“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.