SCHEMBL20448663

SCHEMBL20448663

[c]1ccc(N2CC3CC2CO3)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 9/20 0.39
PRKDC P78527 1/20 0.38
MTOR P42345 2/20 0.36
PIK3CA P42336 1/20 0.36
SYK P43405 2/20 0.35
PDE10A Q9Y233 1/20 0.34
MAP3K13 O43283 1/20 0.34
DLK1 P80370 1/20 0.34
SOS1 Q07889 2/20 0.34

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
SCHEMBL20448501 0.85 IDH1 (0.33)
SCHEMBL18436556 0.82 PRKDC (0.45) MAP3K12PRKDCMTORPIK3CASYK
SCHEMBL25889732 0.79 MAP3K12 (0.39) MAP3K12PRKDCMTORPIK3CASYK
SCHEMBL25889731 0.79 MAP3K12 (0.39) MAP3K12PRKDCMTORPIK3CASYK
SCHEMBL15399356 0.79 MAP3K12 (0.44) MAP3K12PRKDCMTORPIK3CAMAP3K13
SCHEMBL12082429 0.79 SOS1 (0.39) MAP3K12PRKDCMTORPIK3CASOS1
SCHEMBL19221692 0.73 MAPT (0.41) PRKDC
SCHEMBL23107400 0.73 CHRNB2 (0.55) MAP3K12MTORPIK3CAMAP3K13SOS1
SCHEMBL12697201 0.73 CHRNB2 (0.55) MAP3K12MTORPIK3CAMAP3K13SOS1
SCHEMBL23387212 0.71 NSD2 (0.42) PRKDC

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-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS SELVITA S.A. (PL) 2018-09-20 US claimed
US-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS SELVITA S.A. (PL) 2018-09-20 US disclosed
EP-3356331-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS Selvita S.A. (PL) 2018-08-08 EP 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-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS LDHB, LDHA, PDK1 MAP3K12 1787/4885PRKDC 847/4885MTOR 1642/4885

“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.