SCHEMBL14941104

SCHEMBL14941104

COC(=O)C(C)N(CCC(C)C)c1nc(Cl)ncc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 14/20 0.38
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
MYC P01106 1/20 0.33
MAX P61244 1/20 0.33

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
SCHEMBL14941105 1.00 PIN1 (0.38) PIN1ALDH1A1NPC1CYP3A4MAPT
SCHEMBL22769970 0.83 PIN1 (0.42) PIN1ALDH1A1MAPT
SCHEMBL14940745 0.80 PIN1 (0.36) PIN1NPC1CYP3A4MAPTHTT
SCHEMBL13150902 0.79 PIN1 (0.35) PIN1
SCHEMBL27847311 0.79 PIN1 (0.34) PIN1ALDH1A1MAPT
SCHEMBL4087952 0.78 PIN1 (0.35) PIN1ALDH1A1MAPT
SCHEMBL10286671 0.77 PIN1 (0.36) PIN1ALDH1A1
SCHEMBL27894803 0.77 PIN1 (0.38) PIN1ALDH1A1MYCMAX
SCHEMBL30823384 0.77 PIN1 (0.37) PIN1ALDH1A1
SCHEMBL1288351 0.76 PIN1 (0.35) PIN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9351974-B2 Substituted pteridinones for the treatment of cancer OSI Pharmaceuticals, LLC (US) 2016-05-31 US disclosed
US-9351974-B2 Substituted pteridinones for the treatment of cancer OSI Pharmaceuticals, LLC (US) 2016-05-31 US disclosed
US-9351974-B2 Substituted pteridinones for the treatment of cancer OSI Pharmaceuticals, LLC (US) 2016-05-31 US disclosed
US-20140315911-A1 DIHYDROPTERIDINONES OSI Pharmaceuticals, LLC 2014-10-23 US disclosed
US-20140315911-A1 DIHYDROPTERIDINONES OSI Pharmaceuticals, LLC 2014-10-23 US disclosed
US-20140315911-A1 DIHYDROPTERIDINONES OSI Pharmaceuticals, LLC 2014-10-23 US disclosed
EP-2776444-A1 DIHYDROPTERIDINONES OSI Pharmaceuticals, LLC (US) 2014-09-17 EP disclosed
WO-2013071217-A1 DIHYDROPTERIDINONES OSI Pharmaceuticals, LLC (US) 2013-05-16 WO 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-20140315911-A1 DIHYDROPTERIDINONES DHPS, DHODH, HYPK PIN1 602/4885ALDH1A1 1118/4885NPC1 556/4885

“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.