SCHEMBL5901807

SCHEMBL5901807

CN1CCC(c2nc(-c3ccncc3)c(N3Cc4ccccc4C3)c(=O)n2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.40
MAPK11 Q15759 6/20 0.40
KDM1A O60341 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CSNK1D P48730 1/20 0.35
DRD2 P14416 1/20 0.35
EED O75530 1/20 0.35
AVPR1A P37288 1/20 0.35

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
SCHEMBL5757020 0.85 CYP11B2 (0.38) MAPK14MAPK11
SCHEMBL5741788 0.79 MAPK14 (0.42) MAPK14MAPK11KDM1ADRD2
SCHEMBL5740394 0.77 MAPK11 (0.34) MAPK14MAPK11KDM1ADRD2
SCHEMBL5740316 0.76 MAPK14 (0.39) MAPK14MAPK11DRD2
SCHEMBL5741723 0.69 GSK3B (0.54)
SCHEMBL6364470 0.69 ADORA2A (0.42) MAPK14MAPK11KDM1AALDH1A1
SCHEMBL5901913 0.68 PRKCI (0.64) MAPK14CSNK1D
SCHEMBL5901909 0.68 PRKCI (0.64) MAPK14CSNK1D
SCHEMBL12902085 0.61 HTR2B (0.60) ALDH1A1DRD2
SCHEMBL30232571 0.60 MAPK11 (0.51) MAPK14MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049318-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-05-23 US disclosed
US-20050020592-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-01-27 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-20050020592-A1 Substituted heterocyclic compounds and methods of use MYLK2, MYLK, MCL1 MAPK14 2472/4885MAPK11 1547/4885KDM1A 3435/4885

“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.