SCHEMBL2160834

SCHEMBL2160834

Nc1nnc(-c2ccccn2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 3/20 0.50
PKM P14618 3/20 0.50
TP53 P04637 5/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
CYP1A2 P05177 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.48
CCR1 P32246 1/20 0.48
CCR5 P51681 1/20 0.48
CCR8 P51685 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL10553462 0.86 KDM4E (0.59) KDM4EALDH1A1HPGDPKMTP53
SCHEMBL27845508 0.78 NPC1 (0.67) KDM4EALDH1A1HPGDPKMTP53
SCHEMBL6698534 0.77 RAB9A (0.65) NOTUMKDM4EALDH1A1HPGDPKM
SCHEMBL20025653 0.77 KDM4E (0.54) KDM4EALDH1A1HPGDPKMTP53
SCHEMBL11982529 0.77 KDM4E (0.54) KDM4EALDH1A1HPGDPKMTP53
SCHEMBL25374503 0.77 KDM4E (0.50) KDM4EALDH1A1HPGDPKMTP53
SCHEMBL29816697 0.77 KDM4E (0.54) KDM4EALDH1A1HPGDPKMTP53
SCHEMBL8629789 0.77 KDM4E (0.50) KDM4EALDH1A1HPGDPKMTP53
SCHEMBL8830039 0.76 KDM4E (0.49) KDM4EALDH1A1HPGDPKMTP53
SCHEMBL14395189 0.75 MECP2 (0.69) KDM4EALDH1A1HPGDPKMTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526098-B1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-07-11 EP claimed
US-8470820-B2 Nitrogen-containing heteroaryl derivatives HOFFMAN-LA ROCHE INC. (US) 2013-06-25 US claimed
EP-2526098-B1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-07-11 EP disclosed
US-8710081-B2 5-lipoxygenase-activating protein (FLAP) inhibitors PANMIRA PHARMACEUTICALS, LLC (US) 2014-04-29 US disclosed
US-20140018394-A1 5-LIPOXGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AUTOIMMUNE PHARMA LLC 2014-01-16 US disclosed
US-8546431-B2 5-lipoxygenase-activating protein (FLAP) inhibitors PANMIRA PHARMACEUTICALS, LLC (US) 2013-10-01 US disclosed
US-8470820-B2 Nitrogen-containing heteroaryl derivatives HOFFMAN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-20130102636-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors Panmira Pharmaceuticals, Inc. (US) 2013-04-25 US disclosed
US-20110183979-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-28 US disclosed
WO-2011089132-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-28 WO disclosed
US-20070105866-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-10 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 (4 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-20070105866-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 NOTUM 185/4885KDM4E 2621/4885ALDH1A1 1358/4885
US-20140018394-A1 5-LIPOXGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, LTA4H, ALOX5AP NOTUM 161/4885KDM4E 2608/4885ALDH1A1 1471/4885
US-20110183979-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES PDE3A, PDE2A, PDE10A NOTUM 874/4885KDM4E 2200/4885ALDH1A1 434/4885
US-20130102636-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors ALOX5, ALOX15B, ALOX15 NOTUM 215/4885KDM4E 1909/4885ALDH1A1 384/4885

“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.