SCHEMBL20061330

SCHEMBL20061330

Cc1cc2cc(F)ccc2nc1[C@H](C)N[S+]([O-])C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.34
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ABL1 P00519 1/20 0.32
TSHR P16473 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CG P48736 1/20 0.32
NPY1R P25929 1/20 0.30
NPY2R P49146 1/20 0.30
GAA P10253 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
SCHEMBL15448644 0.79 BACE1 (0.33) BACE1
SCHEMBL20858372 0.79 BACE1 (0.33) BACE1
SCHEMBL20067904 0.78 LMNA (0.41)
SCHEMBL28572006 0.78 LMNA (0.41)
SCHEMBL28572005 0.78 LMNA (0.41)
SCHEMBL2717040 0.75 PIK3CD (0.39) PIK3CDPIK3CG
SCHEMBL3777197 0.75 PIK3CD (0.39) PIK3CDPIK3CG
SCHEMBL20061337 0.72 MEN1 (0.41) TSHR
SCHEMBL20061329 0.72 BACE1 (0.47) BACE1PDE3BPDE3ATSHRPIK3CD
SCHEMBL716335 0.72 PIK3CD (0.33) PIK3CDPIK3CGGAA

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-20180105527-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-19 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-20180105527-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT WEE2, WEE1, ITK BACE1 2870/4885PDE3B 2776/4885PDE3A 2478/4885

“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.