SCHEMBL16009587

SCHEMBL16009587

COc1ccc(Nc2ccc3ncc(-c4ccc5[nH]ccc5c4)n3n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.66
CDK9 P50750 5/20 0.66
CDK5 Q00535 5/20 0.66
CDK5R1 Q15078 5/20 0.66
DYRK3 O43781 4/20 0.66
DYRK1A Q13627 4/20 0.66
DYRK2 Q92630 4/20 0.66
DYRK1B Q9Y463 4/20 0.66
FYN P06241 11/20 0.60
CCNA2 P20248 4/20 0.59
CDK2 P24941 4/20 0.59
KCNH2 Q12809 1/20 0.49
MKNK1 Q9BUB5 1/20 0.47
ABL1 P00519 2/20 0.46
PGK1 P00558 1/20 0.46
CDK1 P06493 1/20 0.46
PIM1 P11309 1/20 0.46
CCNB1 P14635 1/20 0.46
CSNK1E P49674 1/20 0.46
GSK3A P49840 1/20 0.46

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
SCHEMBL16010204 0.95 CCNT1 (0.61) CCNT1CDK9CDK5CDK5R1DYRK3
SCHEMBL16009466 0.90 DYRK3 (0.63) CCNT1CDK9CDK5CDK5R1DYRK3
SCHEMBL16016825 0.89 FYN (0.63) CCNT1CDK9CDK5CDK5R1DYRK3
SCHEMBL16010355 0.89 DYRK3 (0.64) CCNT1CDK9CDK5CDK5R1DYRK3
SCHEMBL16010523 0.88 CCNT1 (0.60) CCNT1CDK9CDK5CDK5R1DYRK3
SCHEMBL2943171 0.86 FYN (0.68) CCNT1CDK9CDK5CDK5R1DYRK3
SCHEMBL16016887 0.85 FYN (0.61) CCNT1CDK9CDK5CDK5R1DYRK3
SCHEMBL16010465 0.85 DYRK3 (0.57) CCNT1CDK9CDK5CDK5R1DYRK3
SCHEMBL16010453 0.84 DYRK3 (0.58) CCNT1CDK9CDK5CDK5R1DYRK3
SCHEMBL16017052 0.82 FYN (0.60) CCNT1CDK9CDK5CDK5R1DYRK3

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 CCNT1 1234/4885CDK9 109/4885CDK5 226/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 CCNT1 1234/4885CDK9 109/4885CDK5 226/4885

“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.