SCHEMBL18148242

SCHEMBL18148242

CC(C)c1ccc2cnc(NC3CCC(N)CC3)nc2n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 6/20 0.55
▸ MAPK10 P53779 5/20 0.55
▸ CDK9 P50750 12/20 0.43
▸ CDK7 P50613 11/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ CCNH P51946 1/20 0.43
▸ MAPK9 P45984 3/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ MAPK6 Q16659 1/20 0.40

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
SCHEMBL16802605 1.00 MAPK8 (0.55) MAPK8MAPK10CDK9CDK7CCNT1
SCHEMBL18148247 0.87 MAPK8 (0.65) MAPK8MAPK10CCND1MAPK9PIK3C3
SCHEMBL16802583 0.87 MAPK8 (0.65) MAPK8MAPK10CCND1MAPK9PIK3C3
SCHEMBL16802607 0.80 MAPK8 (0.64) MAPK8MAPK10MAPK9
SCHEMBL18148270 0.80 MAPK8 (0.64) MAPK8MAPK10MAPK9
SCHEMBL18148252 0.79 MAPK8 (0.76) MAPK8MAPK10CDK9CDK7CCNT1
SCHEMBL16802600 0.79 MAPK8 (0.76) MAPK8MAPK10CDK9CDK7CCNT1
SCHEMBL16802581 0.75 MAPK8 (0.78) MAPK8MAPK10CDK4MAPK9MAPK6
SCHEMBL18148243 0.75 MAPK8 (0.78) MAPK8MAPK10CDK4MAPK9MAPK6
SCHEMBL18148256 0.72 MAPK8 (0.50) MAPK8MAPK10CDK9CDK7CCNT1

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-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

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 31/4885CDK9 383/4885

“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.

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