SCHEMBL569767

SCHEMBL569767

Brc1ccc(Oc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
KMT2A Q03164 2/20 0.57
LTA4H P09960 5/20 0.54
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 2/20 0.44
PKM P14618 2/20 0.44
ABCB11 O95342 1/20 0.44
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
LMNA P02545 1/20 0.43
MASP2 O00187 1/20 0.42
MEN1 O00255 1/20 0.42
NUDT1 P36639 1/20 0.42

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
SCHEMBL6359968 0.86 LTA4H (0.56) RAB9ANPC1KMT2ALTA4HGRIN1
SCHEMBL29795482 0.86 LTA4H (0.56) RAB9ANPC1KMT2ALTA4HGRIN1
SCHEMBL14547183 0.83 LTA4H (0.54) RAB9ANPC1KMT2ALTA4HGRIN1
SCHEMBL7857823 0.82 ALDH1A1 (0.58) RAB9ANPC1KMT2ALTA4HALDH1A1
SCHEMBL2967288 0.81 TP53 (0.53) RAB9AGRIN1GRIN2BALDH1A1MAPT
SCHEMBL2168662 0.80 LTA4H (0.54) RAB9ANPC1KMT2ALTA4HGRIN1
SCHEMBL2382054 0.80 LTA4H (0.51) RAB9ANPC1KMT2ALTA4HGRIN1
SCHEMBL5598128 0.80 LTA4H (0.54) RAB9ANPC1KMT2ALTA4HGRIN1
SCHEMBL17491662 0.78 MAPK1 (0.49) RAB9ANPC1KMT2ALTA4HALDH1A1
SCHEMBL570314 0.77 AMY1A (0.44) RAB9ANPC1KMT2ALTA4HALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
EP-2687529-B1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-07-13 EP disclosed
EP-2982676-A1 Benzimidazo[2,1-B]benzoxazoles for electronic applications Idemitsu Kosan Co., Ltd. (JP) 2016-02-10 EP disclosed
US-9029388-B2 Condensed heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
EP-2687529-A1 CONDENSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-01-22 EP disclosed
US-20130331409-A1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-12 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 US disclosed
EP-2601192-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2013-06-12 EP disclosed
WO-2012018909-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-09 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 (2 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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A RAB9A 64/4885NPC1 3068/4885KMT2A 780/4885
US-20130331409-A1 CONDENSED HETEROCYCLIC COMPOUND PDE10A, PDE5A, PDE3B RAB9A 93/4885NPC1 4172/4885KMT2A 626/4885

“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.