SCHEMBL1624873

SCHEMBL1624873

CN(C)C1CCN(C(=O)[C@H]2CCCN(c3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATR Q13535 4/20 0.44
LMNA P02545 1/20 0.44
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
KDR P35968 1/20 0.43
DGAT2 Q96PD7 10/20 0.43
NOTUM Q6P988 1/20 0.42

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
SCHEMBL1625274 1.00 ATR (0.44) ATRLMNAPDGFRBFGFR1KDR
SCHEMBL1283946 0.96 ATR (0.46) ATRLMNAPDGFRBFGFR1KDR
SCHEMBL1283949 0.96 ATR (0.46) ATRLMNAPDGFRBFGFR1KDR
SCHEMBL1284155 0.96 ATR (0.46) ATRLMNAPDGFRBFGFR1KDR
SCHEMBL1284808 0.91 PDGFRB (0.47) ATRLMNAPDGFRBFGFR1KDR
SCHEMBL1624583 0.91 DGAT2 (0.51) LMNADGAT2NOTUM
SCHEMBL1284559 0.91 DGAT2 (0.51) LMNADGAT2NOTUM
SCHEMBL1284557 0.91 DGAT2 (0.51) LMNADGAT2NOTUM
SCHEMBL1625258 0.91 DGAT2 (0.45) ATRDGAT2NOTUM
SCHEMBL1624030 0.91 DGAT2 (0.45) ATRDGAT2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 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-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO ATR 3196/4885LMNA 4481/4885PDGFRB 71/4885

“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.