SCHEMBL2178921

SCHEMBL2178921

CN(C)c1nc(/C=C/c2nc(O)cc(N3CCCC3)n2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
PDE10A Q9Y233 10/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
ACHE P22303 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
NCF1 P14598 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL2178924 1.00 KDM4E (0.47) KDM4EGAAPDE10AHTTTP53
SCHEMBL2176832 0.87 KDM4E (0.47) KDM4EGAAPDE10AHTTTP53
SCHEMBL2176837 0.87 KDM4E (0.47) KDM4EGAAPDE10AHTTTP53
SCHEMBL2176961 0.86 ALDH1A1 (0.47) KDM4EGAAPDE10AHTTTP53
SCHEMBL2176953 0.86 ALDH1A1 (0.47) KDM4EGAAPDE10AHTTTP53
SCHEMBL2180555 0.86 PDE10A (0.44) KDM4EGAAPDE10AHTTTP53
SCHEMBL2180559 0.86 PDE10A (0.44) KDM4EGAAPDE10AHTTTP53
SCHEMBL2177278 0.86 PDE10A (0.55) KDM4EGAAPDE10AHTTTP53
SCHEMBL2177268 0.86 PDE10A (0.55) KDM4EGAAPDE10AHTTTP53
Hydrochloric Acid SCHEMBL2176900 0.85 PDE10A (0.44) KDM4EGAAPDE10AHTTTP53

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
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B KDM4E 397/4885GAA 1833/4885PDE10A 1/4885

“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.