SCHEMBL16010448

SCHEMBL16010448

O[C@H]1CC[C@H](Nc2ccc3ncc(-c4ccc5cc(F)ccc5c4)n3n2)CC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 12/20 0.65
KCNH2 Q12809 3/20 0.65
FYN P06241 5/20 0.57
MKNK1 Q9BUB5 2/20 0.56
IKBKB O14920 1/20 0.53

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
SCHEMBL16010450 1.00 PIM1 (0.65) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL2949370 0.89 PIM1 (0.70) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3037748 0.89 PIM1 (0.70) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL16017045 0.89 PIM1 (0.70) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3036678 0.89 PIM1 (0.66) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3036675 0.89 PIM1 (0.66) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL2941491 0.87 PIM1 (0.77) PIM1KCNH2FYN
SCHEMBL3044143 0.87 PIM1 (0.77) PIM1KCNH2FYN
SCHEMBL3043396 0.86 PIM1 (0.72) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3043399 0.86 PIM1 (0.72) PIM1KCNH2FYNMKNK1IKBKB

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 PIM1 363/4885KCNH2 2562/4885FYN 521/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 PIM1 363/4885KCNH2 2562/4885FYN 521/4885

“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.