SCHEMBL5102543

SCHEMBL5102543

OC1CCC(Nc2nccc(-c3nnc4ccccn34)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 14/20 1.00
MAPK9 P45984 13/20 1.00
MAPK10 P53779 10/20 1.00
PIM1 P11309 2/20 0.63
PIM2 Q9P1W9 2/20 0.63
IRAK4 Q9NWZ3 2/20 0.53
RET P07949 1/20 0.49
CDK2 P24941 3/20 0.48
CYP2C9 P11712 1/20 0.48
CCNE1 P24864 1/20 0.48
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
JUN P05412 1/20 0.46
MAPK1 P28482 1/20 0.46
MAP2K7 O14733 1/20 0.45
IKBKB O14920 1/20 0.45
MAPK13 O15264 1/20 0.45
MAP2K4 P45985 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
GSK3B P49841 1/20 0.45

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
SCHEMBL8191666 1.00 MAPK8 (1.00) MAPK8MAPK9MAPK10PIM1PIM2
SCHEMBL7888011 0.82 MAPK8 (1.00) MAPK8MAPK9MAPK10IRAK4CDK2
SCHEMBL183898 0.82 MAPK8 (1.00) MAPK8MAPK9MAPK10IRAK4CDK2
SCHEMBL1974294 0.78 PIM1 (1.00) MAPK8MAPK9MAPK10PIM1PIM2
SCHEMBL1974296 0.78 PIM1 (1.00) MAPK8MAPK9MAPK10PIM1PIM2
SCHEMBL30438261 0.74 RET (0.64) MAPK8MAPK9MAPK10PIM1PIM2
SCHEMBL16885494 0.71 MAPK1 (0.72) MAPK8MAPK9MAPK10CDK2MAPK1
SCHEMBL413669 0.70 MAPK8 (0.54) MAPK8MAPK9MAPK10IRAK4CDK2
SCHEMBL12075528 0.70 KDM4E (0.54) MAPK8MAPK9MAPK10PIM1PIM2
SCHEMBL22228838 0.70 MAPK8 (0.67) MAPK8MAPK9MAPK10IRAK4CDK2

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-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
US-20080146565-A1 JNK modulators ROCHE PALO ALTO LLC 2008-06-19 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.