SCHEMBL16009453

SCHEMBL16009453

CCC(C)Nc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 13/20 0.79
DYRK2 Q92630 13/20 0.79
DYRK1B Q9Y463 13/20 0.79
DYRK3 O43781 12/20 0.79
CDK5 Q00535 10/20 0.79
CDK5R1 Q15078 10/20 0.79
CCNT1 O60563 9/20 0.79
CDK9 P50750 9/20 0.79
CCNA2 P20248 8/20 0.79
CDK2 P24941 8/20 0.79
FYN P06241 6/20 0.64
ABL1 P00519 1/20 0.52
PGK1 P00558 1/20 0.52
CDK1 P06493 1/20 0.52
PIM1 P11309 1/20 0.52
CCNB1 P14635 1/20 0.52
CSNK1E P49674 1/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
JAK3 P52333 1/20 0.52

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
SCHEMBL16017040 1.00 DYRK1A (0.79) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL2946492 0.86 CCNT1 (0.76) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL2946487 0.86 CCNT1 (0.76) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL16009360 0.84 FYN (0.71) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL13234623 0.83 FYN (0.79) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL16010655 0.81 FYN (0.81) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL16010383 0.80 FYN (0.88) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL16009855 0.80 CCNT1 (0.69) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL2941614 0.79 FYN (0.75) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL2949403 0.78 FYN (1.00) DYRK1ADYRK2DYRK1BDYRK3CDK5

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 DYRK1A 442/4885DYRK2 402/4885DYRK1B 439/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 DYRK1A 442/4885DYRK2 402/4885DYRK1B 439/4885

“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.