SCHEMBL21710403

SCHEMBL21710403

CN1CCc2ncc(CN3CCc4ncncc4C3)nc2C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 5/20 0.40
TP53 P04637 3/20 0.40
HSP90AB1 P08238 5/20 0.40

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
SCHEMBL8445261 0.78 MAOA (0.42) LMNAPOLB
SCHEMBL27289966 0.73 LMNA (0.54) LMNAPOLBMAPTTP53HSP90AB1
SCHEMBL6369619 0.72 LMNA (0.41) LMNAPOLBMAPTTP53HSP90AB1
SCHEMBL8497505 0.72 MAOA (0.42)
SCHEMBL26957474 0.72 CYP3A4 (0.36)
SCHEMBL18563787 0.68 CYP2C19 (0.37) LMNAPOLBMAPTTP53
SCHEMBL256350 0.68 CYP3A4 (0.37)
SCHEMBL13654392 0.66 PIK3CA (0.38)
SCHEMBL22788529 0.65 DRD2 (0.42) LMNAPOLBMAPTTP53HSP90AB1
SCHEMBL21499251 0.65 LMNA (0.44) LMNAPOLBMAPTTP53HSP90AB1

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-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-02-13 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-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF WNT1, WNT3A, CTNNB1 LMNA 2673/4885POLB 3111/4885MAPT 3199/4885

“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.