SCHEMBL15218871

SCHEMBL15218871

COC(=O)C1(Nc2nc(Cl)ncc2[N+](=O)[O-])CCOC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 15/20 0.41
▸ MAPT P10636 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ BCR P11274 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ PTK2B Q14289 1/20 0.32

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
SCHEMBL15218863 0.94 PIN1 (0.43) PIN1MAPTMAPK1GSK3AGSK3B
SCHEMBL15218872 0.93 PIN1 (0.39) PIN1MAPTMAPK1ABL1BCR
SCHEMBL15218867 0.91 PIN1 (0.44) PIN1MAPTMAPK1ABL1BCR
SCHEMBL15218865 0.90 PIN1 (0.40) PIN1MAPTMAPK1GSK3AGSK3B
SCHEMBL15221431 0.88 PIN1 (0.47) PIN1MAPTMAPK1ABL1BCR
SCHEMBL15221514 0.86 PIN1 (0.45) PIN1MAPTMAPK1ABL1BCR
SCHEMBL18286790 0.82 PIN1 (0.39) PIN1MAPTGSK3AGSK3BMEN1
SCHEMBL28935337 0.78 PIN1 (0.40) PIN1MAPK1ABL1BCR
SCHEMBL15218869 0.78 MMP1 (0.30) —
SCHEMBL21492475 0.78 PIN1 (0.44) PIN1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2958918-B1 DIHYDROPTERIDINONES II BOEHRINGER INGELHEIM INT (DE) 2016-12-07 — — EP disclosed
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 291/4885MAPT 204/4885MAPK1 4182/4885

“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.

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