SCHEMBL16010458

SCHEMBL16010458

CC(CO)CCNc1ccc2ncc(-c3cc4ccccc4s3)n2n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.64
PIK3R1 P27986 1/20 0.64
FYN P06241 12/20 0.45
MKNK1 Q9BUB5 5/20 0.44
DYRK3 O43781 1/20 0.44
CCNT1 O60563 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK9 P50750 1/20 0.44
CDK5 Q00535 1/20 0.44
DYRK1A Q13627 1/20 0.44
CDK5R1 Q15078 1/20 0.44
DYRK2 Q92630 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
PIM1 P11309 1/20 0.42

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
SCHEMBL17849298 0.88 PIK3CD (0.49) PIK3CDPIK3R1FYNMKNK1CCNT1
SCHEMBL16009740 0.87 PIK3CD (0.72) PIK3CDPIK3R1FYNMKNK1
SCHEMBL16009224 0.85 FYN (0.52) PIK3CDPIK3R1FYNMKNK1
SCHEMBL2949024 0.85 PIK3CD (0.69) PIK3CDPIK3R1FYNMKNK1
SCHEMBL16010530 0.84 PIK3CD (0.59) PIK3CDPIK3R1FYNMKNK1CCNT1
SCHEMBL16009469 0.84 PIK3CD (0.68) PIK3CDPIK3R1FYNMKNK1
SCHEMBL16010418 0.84 PIK3CD (0.63) PIK3CDPIK3R1FYNMKNK1CCNT1
Monoethanolamine SCHEMBL16009979 0.83 PIK3CD (0.67) PIK3CDPIK3R1FYNMKNK1
SCHEMBL16009432 0.83 PIK3CD (0.67) PIK3CDPIK3R1FYNMKNK1
SCHEMBL2949153 0.83 PIK3CD (0.67) PIK3CDPIK3R1FYNMKNK1CCNT1

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 9 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-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 US disclosed
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-9370515-B2 Mixed lineage kinase inhibitors and method of treatments Califia Bio, Inc. (US) 2016-06-21 US disclosed
US-9370515-B2 Mixed lineage kinase inhibitors and method of treatments Califia Bio, Inc. (US) 2016-06-21 US disclosed
WO-2014138692-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-12 WO disclosed
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-11 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.