SCHEMBL12409588

SCHEMBL12409588

C/C=C/c1nc(-c2ccccn2)c2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
KDM4E B2RXH2 1/20 0.44
METAP1 P53582 5/20 0.43
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
AGTR1 P30556 1/20 0.39
LRRK2 Q5S007 1/20 0.39
JAK2 O60674 1/20 0.39
PPP1CA P62136 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL2179394 0.82 RAB9A (0.47) NPC1KDM4EMETAP1RAB9AALDH1A1
SCHEMBL12409589 0.78 KDM4E (0.45) NPC1KDM4EMETAP1RAB9AALDH1A1
SCHEMBL14084546 0.76 NPC1 (0.54) NPC1KDM4EMETAP1RAB9AALDH1A1
SCHEMBL2855425 0.74 KDM4E (0.55) NPC1KDM4EMETAP1RAB9AALDH1A1
SCHEMBL24589754 0.73 KMT2A (0.57) NPC1KDM4EMETAP1RAB9AALDH1A1
SCHEMBL367849 0.73 ADORA2A (0.61) NPC1KDM4EMETAP1RAB9AALDH1A1
SCHEMBL3779006 0.73 METAP1 (0.57) NPC1KDM4EMETAP1RAB9AALDH1A1
SCHEMBL24731956 0.73 RAB9A (0.49) NPC1KDM4EMETAP1RAB9AALDH1A1
SCHEMBL12408748 0.71 DCPS (0.53) NPC1KDM4ERAB9AALDH1A1GAA
SCHEMBL13458250 0.71 PDE5A (0.41) NPC1KDM4ERAB9AALDH1A1L3MBTL1

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
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
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 NPC1 4022/4885KDM4E 397/4885METAP1 2200/4885

“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.