SCHEMBL16010488

SCHEMBL16010488

NCCCCCO.OCCCCCNc1ccc2ncc(-c3cc4ccccc4s3)n2n1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.62
PIK3R1 P27986 1/20 0.62
MKNK1 Q9BUB5 6/20 0.52
FYN P06241 13/20 0.50

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
SCHEMBL16009632 0.99 PIK3CD (0.63) PIK3CDPIK3R1MKNK1FYN
SCHEMBL16009432 0.95 PIK3CD (0.67) PIK3CDPIK3R1MKNK1FYN
SCHEMBL16010413 0.94 PIK3CD (0.64) PIK3CDPIK3R1MKNK1FYN
SCHEMBL16009469 0.94 PIK3CD (0.68) PIK3CDPIK3R1MKNK1FYN
SCHEMBL2949024 0.91 PIK3CD (0.69) PIK3CDPIK3R1MKNK1FYN
Monoethanolamine SCHEMBL16009979 0.89 PIK3CD (0.67) PIK3CDPIK3R1MKNK1FYN
SCHEMBL16010490 0.89 PIK3CD (0.60) PIK3CDPIK3R1MKNK1FYN
SCHEMBL16009740 0.87 PIK3CD (0.72) PIK3CDPIK3R1MKNK1FYN
SCHEMBL16009634 0.86 PIK3CD (0.61) PIK3CDPIK3R1MKNK1FYN
SCHEMBL16010352 0.85 PIK3CD (0.67) PIK3CDPIK3R1MKNK1FYN

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 436/4885MKNK1 49/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 PIK3CD 316/4885PIK3R1 436/4885MKNK1 49/4885

“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.