SCHEMBL2179394

SCHEMBL2179394

O=Cc1nc(-c2ccccn2)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
HIF1A Q16665 2/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
METAP1 P53582 6/20 0.45
DHODH Q02127 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ADORA3 P0DMS8 2/20 0.42
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
LRRK2 Q5S007 1/20 0.41
TGFBR1 P36897 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL12409588 0.82 NPC1 (0.44) RAB9ANPC1ALDH1A1LMNAHIF1A
SCHEMBL24589754 0.79 KMT2A (0.57) RAB9ANPC1ALDH1A1LMNAHIF1A
SCHEMBL13585396 0.78 ADORA2A (0.55) ALDH1A1LMNAHTTGAAL3MBTL1
SCHEMBL2855425 0.76 KDM4E (0.55) RAB9ANPC1ALDH1A1LMNAHIF1A
SCHEMBL367849 0.76 ADORA2A (0.61) RAB9ANPC1ALDH1A1LMNAHIF1A
SCHEMBL14084546 0.76 NPC1 (0.54) RAB9ANPC1ALDH1A1LMNAHIF1A
SCHEMBL3779006 0.76 METAP1 (0.57) RAB9ANPC1ALDH1A1LMNAHIF1A
SCHEMBL2178564 0.75 KDM4E (0.46) RAB9ANPC1ALDH1A1LMNAHIF1A
SCHEMBL13890085 0.74 METAP1 (0.48) RAB9ANPC1ALDH1A1LMNAHIF1A
SCHEMBL11882620 0.73 NPC1 (0.51) RAB9ANPC1ALDH1A1LMNAHIF1A

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
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
EP-2342191-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE Mitsubishi Tanabe Pharma Corporation (JP) 2011-07-13 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
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 RAB9A 590/4885NPC1 4022/4885ALDH1A1 1520/4885

“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.