SCHEMBL216143

SCHEMBL216143

COc1ccccc1CNC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 5/20 0.45
TSHR P16473 3/20 0.45
MAPK10 P53779 1/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
PAX8 Q06710 1/20 0.44
TP53 P04637 2/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.43
HPGD P15428 2/20 0.43
CYP3A4 P08684 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
SCHEMBL213719 0.86 ALDH1A1 (0.44) NPC1ALDH1A1GAAMEN1KMT2A
SCHEMBL213851 0.86 L3MBTL1 (0.46) NPC1KDM4EALDH1A1GAAL3MBTL1
SCHEMBL215674 0.84 LMNA (0.47) NPC1L3MBTL1KMT2APOLBTSHR
SCHEMBL213970 0.84 SMN1; SMN2 (0.48) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL215002 0.84 PIK3CD (0.43) NPC1KDM4EALDH1A1L3MBTL1MEN1
SCHEMBL213518 0.83 SMN1; SMN2 (0.52) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL215699 0.83 MAPT (0.43) KDM4EKMT2APOLBLMNAMAPT
SCHEMBL213583 0.81 SLC40A1 (0.48) KDM4EALDH1A1MAPK10HSD17B10MAPK1
SCHEMBL213498 0.81 LMNA (0.47) NPC1L3MBTL1KMT2APOLBTSHR
SCHEMBL214034 0.81 HTT (0.44) NPC1KDM4EALDH1A1GAAL3MBTL1

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 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

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 NPC1 3307/4885KDM4E 952/4885ALDH1A1 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.