SCHEMBL2229945

SCHEMBL2229945

CN(C)/C=C/C(=O)c1c[nH]c2cnccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
PIM1 P11309 2/20 0.48
LATS1 O95835 1/20 0.44
HASPIN Q8TF76 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
DYRK1A Q13627 4/20 0.40
GSK3B P49841 3/20 0.40
NFATC1 O95644 2/20 0.40
RECQL P46063 2/20 0.39
CPT1A P50416 1/20 0.39
MAOB P27338 1/20 0.38
KDM5A P29375 1/20 0.38
CYP1A2 P05177 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2229950 1.00 HTT (0.50) HTTPIM1LATS1HASPINRAB9A
SCHEMBL2235 0.80 NPC1 (0.62) PIM1RAB9ANPC1TDP1RECQL
SCHEMBL2236 0.80 NPC1 (0.62) PIM1RAB9ANPC1TDP1RECQL
SCHEMBL16205468 0.76 PIM1 (0.48) HTTPIM1RAB9ANPC1TDP1
SCHEMBL3217902 0.76 HASPIN (0.64) HASPINCYP2C19CYP2D6CYP2C9DYRK1A
SCHEMBL30924488 0.76 HASPIN (0.64) HASPINCYP2C19CYP2D6CYP2C9DYRK1A
SCHEMBL30101234 0.76 DYRK1A (0.51) HASPINTDP1CYP2C19CYP2D6CYP2C9
SCHEMBL2052704 0.76 DYRK1A (0.51) HASPINTDP1CYP2C19CYP2D6CYP2C9
SCHEMBL13991177 0.76 MAP2K1 (0.58) HTTPIM1DYRK1ARECQLLMNA
SCHEMBL13357712 0.76 MAP2K1 (0.58) HTTPIM1DYRK1ARECQLLMNA

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-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 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-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY BRIX1, REL, CNKSR1 HTT 3956/4885PIM1 1529/4885LATS1 808/4885

“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.