SCHEMBL15218872

SCHEMBL15218872

COC(=O)C1(Nc2nc(Cl)ncc2[N+](=O)[O-])CCCCOC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 15/20 0.39
▸ GSK3A P49840 2/20 0.31
▸ GSK3B P49841 2/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ BCR P11274 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP13 P45452 1/20 0.31

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
SCHEMBL15218871 0.93 PIN1 (0.41) PIN1GSK3AGSK3BABL1BCR
SCHEMBL18286790 0.89 PIN1 (0.39) PIN1GSK3AGSK3BMAPT
SCHEMBL15218865 0.89 PIN1 (0.40) PIN1GSK3AGSK3BPOLBMAPT
SCHEMBL15218867 0.89 PIN1 (0.44) PIN1GSK3AGSK3BABL1BCR
SCHEMBL15221514 0.88 PIN1 (0.45) PIN1GSK3AGSK3BABL1BCR
SCHEMBL15218863 0.87 PIN1 (0.43) PIN1GSK3AGSK3BPOLBMAPT
SCHEMBL15221431 0.85 PIN1 (0.47) PIN1GSK3AGSK3BABL1BCR
SCHEMBL21492475 0.75 PIN1 (0.44) PIN1MAPTMAPK1
SCHEMBL28935337 0.74 PIN1 (0.40) PIN1ABL1BCRMAPK1
SCHEMBL24051870 0.73 MAPT (0.34) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865716-B2 Dihydropteridinones II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 — — US disclosed
US-8865716-B2 Dihydropteridinones II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 — — US disclosed
WO-2014127816-A1 DIHYDROPTERIDINONES II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-28 — — WO disclosed
US-20130225593-A1 DIHYDROPTERIDINONES II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 — — US disclosed
US-20130225593-A1 DIHYDROPTERIDINONES II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 — — 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-20130225593-A1 DIHYDROPTERIDINONES II BACE1, BACE2, APP PIN1 291/4885GSK3A 209/4885GSK3B 146/4885

“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.

Send feedback