SCHEMBL5914134

SCHEMBL5914134

CN(c1ccnc(NC2CCN(C(=O)CN)CC2)n1)c1ccnc(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 12/20 0.44
▸ MAPK9 P45984 10/20 0.44
▸ JUN P05412 6/20 0.44
▸ MAPK10 P53779 3/20 0.44
▸ CDK2 P24941 5/20 0.42
▸ MAPK14 Q16539 1/20 0.41
▸ PIKFYVE Q9Y2I7 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL5914214 0.89 MAPK8 (0.41) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL5914206 0.89 MAPK8 (0.41) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL5913964 0.89 MAPK8 (0.44) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL5913810 0.84 MAPK8 (0.48) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL5266019 0.81 MAPK8 (0.54) MAPK8MAPK9MAPK10CDK2MAPK14
SCHEMBL5913811 0.79 MAPK8 (0.42) MAPK8MAPK9MAPK10CDK2MAPK14
SCHEMBL5913834 0.79 MAPK8 (0.42) MAPK8MAPK9MAPK10CDK2MAPK14
SCHEMBL5914425 0.78 IKBKB (0.47) MAPK8CDK2MAPK14CDK1CDK4
SCHEMBL5264825 0.78 MAPK14 (0.43) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL5914219 0.77 VCP (0.48) USP30

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-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 — — 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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP MAPK8 1760/4885MAPK9 2753/4885JUN 1058/4885

“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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