SCHEMBL16010502

SCHEMBL16010502

O[C@H]1CCC[C@H](Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.51
PIK3R1 P27986 1/20 0.51
PIM1 P11309 8/20 0.51
MKNK1 Q9BUB5 11/20 0.50
KCNH2 Q12809 3/20 0.48

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
SCHEMBL16010503 1.00 PIK3CD (0.51) PIK3CDPIK3R1PIM1MKNK1KCNH2
SCHEMBL16009435 1.00 PIK3CD (0.51) PIK3CDPIK3R1PIM1MKNK1KCNH2
SCHEMBL16017030 1.00 PIK3CD (0.51) PIK3CDPIK3R1PIM1MKNK1KCNH2
SCHEMBL16017029 1.00 PIK3CD (0.51) PIK3CDPIK3R1PIM1MKNK1KCNH2
SCHEMBL16009436 1.00 PIK3CD (0.51) PIK3CDPIK3R1PIM1MKNK1KCNH2
SCHEMBL16009433 1.00 PIK3CD (0.51) PIK3CDPIK3R1PIM1MKNK1KCNH2
SCHEMBL16010270 0.95 PIM1 (0.57) PIK3CDPIK3R1PIM1MKNK1KCNH2
SCHEMBL16010269 0.95 PIM1 (0.57) PIK3CDPIK3R1PIM1MKNK1KCNH2
SCHEMBL16010441 0.95 PIM1 (0.57) PIK3CDPIK3R1PIM1MKNK1KCNH2
SCHEMBL2947958 0.88 MKNK1 (0.63) PIK3CDPIK3R1PIM1MKNK1KCNH2

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 PIK3CD 316/4885PIK3R1 436/4885PIM1 363/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 PIK3CD 316/4885PIK3R1 436/4885PIM1 363/4885

“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.