SCHEMBL16375286

SCHEMBL16375286

C=CC(=O)N1CC2(C1)CN(C(C)C)C2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.38
HRH3 Q9Y5N1 4/20 0.34
BTK Q06187 3/20 0.33
KRAS P01116 1/20 0.32
TET3 O43151 2/20 0.31
KMT2A Q03164 2/20 0.31
FBXL19 Q6PCT2 2/20 0.31
CXXC5 Q7LFL8 2/20 0.31
TET1 Q8NFU7 2/20 0.31
KDM2B Q8NHM5 2/20 0.31
CXXC4 Q9H2H0 2/20 0.31
KDM2A Q9Y2K7 2/20 0.31
TEAD1 P28347 2/20 0.30
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 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
SCHEMBL16375288 0.85 HRH3 (0.41) JAK3HRH3KMT2ACYP2D6
SCHEMBL24854333 0.84 HRH3 (0.46) JAK3HRH3BTKTET3KMT2A
SCHEMBL16127680 0.79 JAK3 (0.42) JAK3BTKKRASTET3KMT2A
SCHEMBL12026664 0.76 SMN1; SMN2 (0.42) HRH3CYP2D6
SCHEMBL3469565 0.76 HRH3 (0.44) HRH3TET3KMT2AFBXL19CXXC5
SCHEMBL15474352 0.75 BTK (0.41) JAK3BTKKRASTEAD1KCNH2
SCHEMBL25870417 0.75 KMT2A (0.43) HRH3TET3KMT2AFBXL19CXXC5
SCHEMBL23682421 0.75 TET3 (0.33) JAK3BTKKRASTET3KMT2A
SCHEMBL24092956 0.75 TET3 (0.33) JAK3BTKKRASTET3KMT2A
SCHEMBL25557231 0.75 CHRNB2 (0.38) HRH3

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-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 US disclosed
US-9458162-B2 Cyclic molecules as bruton's tyrosine kinase inhibitors NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-10-04 US disclosed
US-20150011530-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2015-01-08 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-20150011530-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITORS ABL1, BTK, PRKACA JAK3 105/4885HRH3 3109/4885BTK 2/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS JAK3 3209/4885HRH3 2555/4885BTK 3723/4885

“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.