SCHEMBL3037594

SCHEMBL3037594

Oc1ccc(-c2cnc3ccc(N[C@H]4CC[C@H](O)CC4)nn23)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.67
KCNH2 Q12809 5/20 0.67
FYN P06241 7/20 0.63
MKNK1 Q9BUB5 3/20 0.62
IKBKB O14920 2/20 0.59

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
SCHEMBL1053141 1.00 PIM1 (0.67) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3033716 0.89 PIM1 (0.66) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3036703 0.89 PIM1 (0.66) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3043588 0.89 PIM1 (0.72) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3043586 0.89 PIM1 (0.72) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3036678 0.89 PIM1 (0.66) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL2945956 0.89 PIM1 (0.76) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3036675 0.89 PIM1 (0.66) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3036707 0.89 PIM1 (0.66) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3033719 0.89 PIM1 (0.66) 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 8 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
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-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 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 (3 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
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS LCK, ZAP70, FYN PIM1 138/4885KCNH2 235/4885FYN 3/4885

“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.