SCHEMBL16010366

SCHEMBL16010366

COc1ccccc1N.COc1ccccc1Nc1ccc2ncc(-c3cc4ccccc4s3)n2n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.50
PIK3R1 P27986 1/20 0.50
FYN P06241 14/20 0.42
PKM P14618 1/20 0.40
NTRK1 P04629 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
ERN1 O75460 1/20 0.39
DHFR P00374 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 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
SCHEMBL16010410 0.94 PIK3CD (0.55) PIK3CDPIK3R1FYNPKMNTRK1
SCHEMBL16010199 0.90 PIK3CD (0.48) PIK3CDPIK3R1FYNNTRK1NTRK3
SCHEMBL16009195 0.88 PIK3CD (0.52) PIK3CDPIK3R1FYNNTRK1NTRK3
SCHEMBL16010665 0.88 PIK3CD (0.47) PIK3CDPIK3R1FYNERN1
SCHEMBL16009774 0.85 PIK3CD (0.51) PIK3CDPIK3R1FYNALDH1A1GAA
SCHEMBL16010360 0.82 PIK3CD (0.52) PIK3CDPIK3R1FYN
SCHEMBL16010493 0.82 PIK3CD (0.52) PIK3CDPIK3R1FYN
SCHEMBL16010646 0.82 PIK3CD (0.49) PIK3CDPIK3R1FYN
SCHEMBL16016974 0.81 PIK3CD (0.51) PIK3CDPIK3R1FYN
SCHEMBL16010207 0.81 PIK3CD (0.48) PIK3CDPIK3R1FYN

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.