SCHEMBL16009268

SCHEMBL16009268

CN1CCN(c2cccc(Nc3ccc4ncc(-c5cc6ccccc6s5)n4n3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.49
PIK3R1 P27986 1/20 0.49
JAK2 O60674 6/20 0.45
JAK3 P52333 5/20 0.45
PTK2 Q05397 4/20 0.45
CCNT1 O60563 7/20 0.44
CDK9 P50750 7/20 0.44
CCNA2 P20248 6/20 0.44
CDK2 P24941 6/20 0.44
DYRK3 O43781 2/20 0.44
CDK5 Q00535 2/20 0.44
DYRK1A Q13627 2/20 0.44
CDK5R1 Q15078 2/20 0.44
DYRK2 Q92630 2/20 0.44
DYRK1B Q9Y463 2/20 0.44
KCNH2 Q12809 2/20 0.43
MKNK1 Q9BUB5 1/20 0.42
JAK1 P23458 1/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 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
SCHEMBL16010469 0.84 JAK2 (0.41) JAK2JAK3PTK2CCNT1CDK9
SCHEMBL16016851 0.83 PIK3CD (0.55) PIK3CDPIK3R1CCNT1CDK9CCNA2
SCHEMBL16016929 0.83 MKNK1 (0.60) PIK3CDPIK3R1CCNT1CDK9CCNA2
SCHEMBL16009407 0.81 PIK3CD (0.52) PIK3CDPIK3R1CCNT1CDK9CCNA2
SCHEMBL16017038 0.80 PIK3CD (0.53) PIK3CDPIK3R1CCNT1CDK9CCNA2
SCHEMBL16016966 0.80 PIK3CD (0.55) PIK3CDPIK3R1CCNT1CDK9CCNA2
SCHEMBL16016821 0.79 PIK3CD (0.56) PIK3CDPIK3R1CCNT1CDK9CCNA2
SCHEMBL16010470 0.79 IKBKB (0.56) PIK3CDPIK3R1CCNT1CDK9CCNA2
SCHEMBL16017023 0.79 PIK3CD (0.56) PIK3CDPIK3R1JAK2CCNT1CDK9
SCHEMBL16010179 0.79 DYRK3 (0.50) PIK3CDPIK3R1CCNT1CDK9CCNA2

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 436/4885JAK2 320/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 PIK3CD 316/4885PIK3R1 436/4885JAK2 320/4885

“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.