SCHEMBL20142098

SCHEMBL20142098

N#Cc1c(COCc2ccccc2)n[nH]c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AS3MT Q9HBK9 2/20 0.45
NSD2 O96028 1/20 0.45
GHSR Q92847 5/20 0.45
TSHR P16473 2/20 0.43
MAOB P27338 3/20 0.40
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDK5R1 Q15078 1/20 0.39
SQOR Q9Y6N5 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
IKBKE Q14164 1/20 0.36
PIM1 P11309 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAOA P21397 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35

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
SCHEMBL8916628 0.82 PARP1 (0.44) AS3MTNSD2TSHRCDK5DYRK1A
SCHEMBL7991066 0.81 CDK5 (0.42) AS3MTNSD2TSHRMAOBCDK5
SCHEMBL21607779 0.78 TSHR (0.47) GHSRTSHRTAAR1IKBKEMAPT
SCHEMBL22778922 0.77 KDM4E (0.47) AS3MTNSD2GHSRTSHRMAOB
SCHEMBL2494345 0.74 AS3MT (0.54) AS3MTNSD2GHSRMAOBIKBKE
SCHEMBL22092236 0.74 SCN10A (0.35) AS3MTNSD2GHSRCTSLCTSB
SCHEMBL4931387 0.74 PRKACA (0.36) GAAMAPTL3MBTL1
SCHEMBL31277953 0.73 KDM4E (0.41) TSHRGAAMAPTL3MBTL1
SCHEMBL21181813 0.73 MAPT (0.50) AS3MTNSD2TSHRMAOBGAA
SCHEMBL13859500 0.72 PRKACA (0.35) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865208-B2 ATG7 inhibitors and the uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-12-15 US disclosed
WO-2018089786-A1 ATG7 INHIBITORS AND THE USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-05-17 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-10865208-B2 ATG7 inhibitors and the uses thereof ATG7, BECN1, SQSTM1 AS3MT 552/4885NSD2 2218/4885GHSR 3321/4885

“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.