SCHEMBL5094151

SCHEMBL5094151

OC1(Nc2ncccn2)CCC(n2ncc3ccccc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.41
MAPK9 P45984 2/20 0.41
MAPK10 P53779 2/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
SCD O00767 1/20 0.38
TFPI2 P48307 1/20 0.37
KDM5A P29375 1/20 0.36
PDE9A O76083 4/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
KMO O15229 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
TSHR P16473 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
SCHEMBL5094114 0.80 DRD2 (0.42) MAPK8MAPK9MAPK10SCDTFPI2
SCHEMBL5096420 0.78 DDB1 (0.38) MAPK8MAPK9MAPK10DDB1CRBN
SCHEMBL17404486 0.76 DDB1 (0.53) MAPK8MAPK9MAPK10DDB1CRBN
SCHEMBL25285417 0.76 DDB1 (0.48) MAPK8DDB1CRBNSCDTFPI2
SCHEMBL31495775 0.73 DDB1 (0.50) DDB1CRBNSCDTFPI2KDM5A
SCHEMBL29303151 0.73 DDB1 (0.50) MAPK8MAPK9MAPK10DDB1CRBN
SCHEMBL632949 0.72 TSHR (0.48) DDB1CRBNSCDTFPI2KDM5A
SCHEMBL29152986 0.72 DDB1 (0.49) DDB1CRBNSCDKDM5APDE9A
SCHEMBL30588431 0.70 DDB1 (0.51) DDB1CRBNSCDKDM5APDE9A
SCHEMBL2850238 0.70 DDB1 (0.51) DDB1CRBNSCDKDM5APDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399462-B2 4-[4-(4-benzyloxy-indol-1-yl)-pyrimidin-2-ylamino]-cyclohexanol; autoimmune, inflammatory, metabolic, neurological diseases as well as cancer and pain ROCHE PALO ALTO LLC (US) 2013-03-19 US claimed
US-20080146565-A1 JNK modulators ROCHE PALO ALTO LLC 2008-06-19 US claimed
US-8399462-B2 4-[4-(4-benzyloxy-indol-1-yl)-pyrimidin-2-ylamino]-cyclohexanol; autoimmune, inflammatory, metabolic, neurological diseases as well as cancer and pain ROCHE PALO ALTO LLC (US) 2013-03-19 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-20080146565-A1 JNK modulators MAPKAPK2, MAPKAPK3, MAP3K10 MAPK8 40/4885MAPK9 43/4885MAPK10 31/4885

“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.