SCHEMBL213852

SCHEMBL213852

COc1ccc(CN(C(=O)c2nc[nH]c2C(N)=O)c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
MAPT P10636 2/20 0.41
HRH1 P35367 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
PARP1 P09874 1/20 0.39
PKM P14618 1/20 0.39
USP2 O75604 1/20 0.39
DRD3 P35462 1/20 0.39
QPCT Q16769 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
SCHEMBL213519 0.90 MEN1 (0.46) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL215700 0.90 SMN1; SMN2 (0.40) L3MBTL1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL213971 0.90 PAX8 (0.43) L3MBTL1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL216144 0.85 SMN1; SMN2 (0.42) POLBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL216562 0.85 POLB (0.64) POLBL3MBTL1NPC1RAB9AMAPT
SCHEMBL213584 0.82 CYP1A2 (0.38) POLBL3MBTL1MAPTALDH1A1
SCHEMBL213720 0.80 ALDH1A1 (0.41) POLBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL215003 0.79 SMN1; SMN2 (0.37) L3MBTL1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL216365 0.79 POLB (0.50) POLBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL214764 0.79 POLB (0.48) POLBL3MBTL1NPC1RAB9AMAPT

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 POLB 3464/4885L3MBTL1 3660/4885NPC1 3307/4885

“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.