SCHEMBL17199449

SCHEMBL17199449

Nc1cnn([C@H]2CCC[C@@H](O)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.40
KDM5A P29375 1/20 0.36
BRAF P15056 3/20 0.36
MAPK3 P27361 2/20 0.35
MAPK1 P28482 2/20 0.35
KDM1A O60341 2/20 0.33
MPO P05164 1/20 0.33
JAK1 P23458 3/20 0.33
JAK2 O60674 2/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
ACVRL1 P37023 2/20 0.30
ACVR1 Q04771 2/20 0.30
BMPR1A P36894 1/20 0.30
MAP4K3 Q8IVH8 1/20 0.30

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
SCHEMBL17199545 1.00 ACHE (0.40) ACHEKDM5ABRAFMAPK3MAPK1
SCHEMBL17933678 1.00 ACHE (0.40) ACHEKDM5ABRAFMAPK3MAPK1
SCHEMBL17199518 1.00 ACHE (0.40) ACHEKDM5ABRAFMAPK3MAPK1
SCHEMBL17199594 1.00 ACHE (0.40) ACHEKDM5ABRAFMAPK3MAPK1
SCHEMBL16513526 0.90 KDM5A (0.38) ACHEKDM5AMAPK1KDM1AMPO
SCHEMBL1703023 0.84 ACHE (0.44) ACHEKDM5AMPOACVRL1ACVR1
SCHEMBL16764416 0.81 ACHE (0.47) ACHEKDM5AMPOJAK1JAK2
SCHEMBL14764247 0.80 KDM5A (0.39) ACHEKDM5AMAPK1MPOJAK1
SCHEMBL14764120 0.80 KDM5A (0.39) ACHEKDM5AMAPK1MPOJAK1
SCHEMBL14764038 0.80 KDM5A (0.39) ACHEKDM5AMAPK1MPOJAK1

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-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC (US) 2019-05-09 US disclosed
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC (US) 2019-05-09 US disclosed
US-10280184-B2 Heterocyclic kinase inhibitors ABBVIE INC. (US) 2019-05-07 US disclosed
US-10280184-B2 Heterocyclic kinase inhibitors ABBVIE INC. (US) 2019-05-07 US disclosed
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 US disclosed
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 US disclosed
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 US disclosed
WO-2015158283-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. (US) 2015-10-22 WO 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-10280184-B2 Heterocyclic kinase inhibitors MAP3K1, MAP3K20, MAP3K19 ACHE 3415/4885KDM5A 1333/4885BRAF 62/4885
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K19 ACHE 3415/4885KDM5A 1333/4885BRAF 62/4885
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K19 ACHE 3571/4885KDM5A 1377/4885BRAF 63/4885

“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.