SCHEMBL5847752

SCHEMBL5847752

Oc1cc(-c2ccncc2)c(-c2ccc3ccccc3c2)nn1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.65
MAPK11 Q15759 11/20 0.65
CSNK1D P48730 10/20 0.65
MAPK9 P45984 4/20 0.56
MAPK10 P53779 4/20 0.56
MAPK8 P45983 2/20 0.54
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL1040395 0.85 CSNK1D (0.48) MAPK14MAPK11CSNK1DMAPK9MAPK10
SCHEMBL1598971 0.83 MAPK14 (0.60) MAPK14MAPK11CSNK1DADORA2AADORA1
SCHEMBL16092111 0.82 MAPK14 (0.69) MAPK14MAPK11CSNK1DMAPK9MAPK10
SCHEMBL16061090 0.82 MAPK14 (0.65) MAPK14MAPK11CSNK1DMAPK9MAPK10
SCHEMBL6515131 0.82 MAPK14 (0.65) MAPK14MAPK11CSNK1DMAPK9MAPK10
SCHEMBL30360207 0.79 MAPK14 (1.00) MAPK14MAPK11CSNK1DMAPK9MAPK10
SCHEMBL16092104 0.79 MAPK14 (1.00) MAPK14MAPK11CSNK1DMAPK9MAPK10
SCHEMBL17728182 0.79 MAPK14 (0.64) MAPK14MAPK11CSNK1DMAPK9MAPK10
SCHEMBL16092101 0.78 MAPK14 (0.66) MAPK14MAPK11CSNK1D
SCHEMBL16061755 0.78 MAPK14 (0.60) MAPK14MAPK11CSNK1DMAPK9MAPK10

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-7026326-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-04-11 US disclosed
US-20050038010-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-02-17 US disclosed
EP-1506186-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2005-02-16 EP disclosed
WO-2003099808-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2003-12-04 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-20050038010-A1 Substituted heterocyclic compounds and methods of use MYLK2, MYLK, MCL1 MAPK14 2458/4885MAPK11 1540/4885CSNK1D 1643/4885

“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.