SCHEMBL16010665

SCHEMBL16010665

COc1ccc(N)c(OC)c1.COc1ccc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.47
PIK3R1 P27986 1/20 0.47
FYN P06241 17/20 0.43
PIM1 P11309 1/20 0.41
CDK2 P24941 1/20 0.41
CSNK1D P48730 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
GSK3A P49840 1/20 0.41
CSNK2A1 P68400 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PAK1 Q13153 1/20 0.41
STK3 Q13188 1/20 0.41
DYRK1A Q13627 1/20 0.41
LRRK2 Q5S007 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41
AURKB Q96GD4 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
ERN1 O75460 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
SCHEMBL16009774 0.95 PIK3CD (0.51) PIK3CDPIK3R1FYNPIM1CDK2
SCHEMBL16010366 0.88 PIK3CD (0.50) PIK3CDPIK3R1FYNERN1
SCHEMBL16010410 0.86 PIK3CD (0.55) PIK3CDPIK3R1FYN
SCHEMBL16010484 0.83 PIK3CD (0.54) PIK3CDPIK3R1FYNPIM1CDK2
SCHEMBL16010254 0.82 PIK3CD (0.50) PIK3CDPIK3R1FYNPIM1CDK2
SCHEMBL16010199 0.82 PIK3CD (0.48) PIK3CDPIK3R1FYN
SCHEMBL16009407 0.81 PIK3CD (0.52) PIK3CDPIK3R1FYNPIM1CDK2
SCHEMBL16009195 0.81 PIK3CD (0.52) PIK3CDPIK3R1FYN
SCHEMBL16010639 0.80 PIK3CD (0.48) PIK3CDPIK3R1FYNCDK2DYRK1A
SCHEMBL16010493 0.79 PIK3CD (0.52) PIK3CDPIK3R1FYNCDK2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 US disclosed
US-9370515-B2 Mixed lineage kinase inhibitors and method of treatments Califia Bio, Inc. (US) 2016-06-21 US disclosed
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-11 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 (2 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-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 PIK3CD 316/4885PIK3R1 436/4885FYN 521/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 PIK3CD 316/4885PIK3R1 436/4885FYN 521/4885

“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.