SCHEMBL16009208

SCHEMBL16009208

COc1ccc(Nc2ccc3ncc(-c4cc5cc(C)ccc5s4)n3n2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 17/20 0.50
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
KCNH2 Q12809 1/20 0.40
DYRK3 O43781 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL16010492 0.91 FYN (0.50) FYNPIK3CDPIK3R1KCNH2DYRK3
SCHEMBL16009779 0.91 FYN (0.53) FYNKCNH2DYRK3CCNT1CCNA2
SCHEMBL16010038 0.90 FYN (0.49) FYNPIK3CDPIK3R1KCNH2DYRK3
SCHEMBL16010493 0.89 PIK3CD (0.52) FYNPIK3CDPIK3R1KCNH2DYRK3
SCHEMBL16010556 0.87 FYN (0.50) FYNPIK3CDPIK3R1KCNH2DYRK3
SCHEMBL16016831 0.87 PIK3CD (0.43) FYNPIK3CDPIK3R1KCNH2DYRK3
SCHEMBL16010324 0.85 FYN (0.48) FYNKCNH2DYRK3CCNT1CCNA2
SCHEMBL16010061 0.85 FYN (0.50) FYNPIK3CDPIK3R1KCNH2DYRK3
SCHEMBL16008697 0.85 FYN (0.50) FYNPIK3CDPIK3R1KCNH2DYRK3
SCHEMBL16010207 0.84 PIK3CD (0.48) FYNPIK3CDPIK3R1DYRK3CCNT1

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 6 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-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

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 FYN 521/4885PIK3CD 316/4885PIK3R1 436/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 FYN 521/4885PIK3CD 316/4885PIK3R1 436/4885

“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.