SCHEMBL16802602

SCHEMBL16802602

CC(C)C(=O)N1CCC(Nc2ncc3ccc(C4CC4)nc3n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 0.61
MAPK10 P53779 8/20 0.61
MAPK9 P45984 6/20 0.61
CCNE1 P24864 6/20 0.43
CDK2 P24941 6/20 0.43
ROCK2 O75116 2/20 0.41
CYP3A4 P08684 1/20 0.41
HPGDS O60760 1/20 0.41
CCNT1 O60563 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CDK9 P50750 1/20 0.40
CDK6 Q00534 1/20 0.40
JAK1 P23458 1/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL16802604 0.83 MAPK8 (0.60) MAPK8MAPK10MAPK9CDK2CDK4
SCHEMBL16799595 0.79 MAPK8 (0.65) MAPK8MAPK10MAPK9CCNE1CDK2
SCHEMBL18148268 0.77 MAPK8 (1.00) MAPK8MAPK10MAPK9CDK2
SCHEMBL16802603 0.77 MAPK8 (1.00) MAPK8MAPK10MAPK9CDK2
SCHEMBL16802653 0.76 MAPK8 (1.00) MAPK8MAPK10MAPK9CCNE1CDK2
SCHEMBL16802598 0.74 MAPK8 (0.65) MAPK8MAPK10MAPK9CDK2ROCK2
SCHEMBL18148272 0.74 MAPK8 (0.65) MAPK8MAPK10MAPK9CDK2ROCK2
SCHEMBL18148252 0.74 MAPK8 (0.76) MAPK8MAPK10MAPK9CCNT1CDK9
SCHEMBL16802600 0.74 MAPK8 (0.76) MAPK8MAPK10MAPK9CCNT1CDK9
SCHEMBL16799912 0.74 MAPK8 (0.72) MAPK8MAPK10CDK2HPGDSCDK4

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-20160304466-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2016-10-20 US disclosed
US-20160304466-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2016-10-20 US disclosed
US-20160304466-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2016-10-20 US disclosed
WO-2015084936-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-06-11 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-20160304466-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS MAPK3, MAP3K3, MAP3K2 MAPK8 55/4885MAPK10 31/4885MAPK9 25/4885

“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.