SCHEMBL3327740

SCHEMBL3327740

Cc1cc(NC(=O)c2[nH]cnc2C(N)=O)n(C)n1.Cc1ccc(-c2ncc[nH]2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CSNK1A1 P48729 1/20 0.34
TYRO3 Q06418 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
ATR Q13535 1/20 0.34
KDM1A O60341 1/20 0.34
MITF O75030 1/20 0.33
SMO Q99835 1/20 0.33
SYK P43405 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL217146 0.78 MAPT (0.52) GAAL3MBTL1TDP1MAPTSMN1; SMN2
SCHEMBL4775732 0.68 NISCH (0.58) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL29466815 0.68 NISCH (0.58) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL217145 0.68 SMN1; SMN2 (0.39) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL216597 0.66 MAPT (0.54) GAAL3MBTL1TDP1MAPTSMN1; SMN2
SCHEMBL4105577 0.64 GAA (0.55) GAAL3MBTL1TDP1MAPTSMN1; SMN2
SCHEMBL214570 0.62 GAA (0.55) GAAL3MBTL1TDP1MAPTSMN1; SMN2
SCHEMBL29763579 0.60 SMN1; SMN2 (0.66) GAASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL31429683 0.59 NISCH (0.56) L3MBTL1TDP1MAPTSMN1; SMN2MEN1
SCHEMBL2036971 0.59 NISCH (0.56) GAAMAPTSMN1; SMN2MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed

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 GAA 2375/4885L3MBTL1 3660/4885TDP1 3233/4885

“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.