SCHEMBL20964359

SCHEMBL20964359

CC(C)(C)NC1CCC2(CCNC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL23489076 0.86
SCHEMBL19704078 0.79 JAK2 (0.36) JAK2JAK1KDM1AMAOBTSHR
SCHEMBL21166079 0.78
SCHEMBL19766337 0.75 CYP1A2 (0.36) TSHR
SCHEMBL14768781 0.75 KDM1A (0.38) KDM1AMAOB
SCHEMBL19704074 0.74 KCNH2 (0.46) JAK2JAK1KDM1AMAOBTSHR
SCHEMBL24942651 0.74 CYP1A2 (0.36) JAK2JAK1KDM1AMAOBTSHR
SCHEMBL18642963 0.71 TSHR (0.37) JAK2JAK1KDM1AMAOBTSHR
SCHEMBL27480808 0.71 TSHR (0.37) JAK2JAK1KDM1AMAOBTSHR
SCHEMBL21166083 0.71

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190127378-A1 NOVEL HETEROCYCLIC RING DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2019-05-02 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 (1 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-20190127378-A1 NOVEL HETEROCYCLIC RING DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN22, PTPN1, PTPRJ JAK2 73/4885JAK1 132/4885KDM1A 1096/4885

“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.