SCHEMBL3327100

SCHEMBL3327100

Cc1c[nH]c(-c2ccccn2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
METAP1 P53582 6/20 0.47
METAP2 P50579 5/20 0.47
CBFB Q13951 4/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
PKM P14618 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
ALPL P05186 2/20 0.47
ALOX15 P16050 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 3/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL8311607 0.81 KDM4E (0.56) KDM4EMETAP1METAP2CBFBNPC1
SCHEMBL6815366 0.80 CCR1 (0.44) KDM4EMETAP2CBFBRAB9ASMN1; SMN2
SCHEMBL6924808 0.78 SMN1; SMN2 (0.47) KDM4EMETAP1METAP2CBFBNPC1
SCHEMBL14157267 0.78 NPC1 (0.47) KDM4EMETAP1METAP2CBFBNPC1
SCHEMBL28856145 0.77 CCR1 (0.58) METAP2HSD17B10CCR1CCR8POLB
SCHEMBL5493272 0.76 NPC1 (0.54) KDM4EMETAP1METAP2NPC1RAB9A
SCHEMBL29908717 0.76 ALDH1A1 (0.30) SMN1; SMN2
Pyridine SCHEMBL29135857 0.75 METAP1 (0.48) KDM4EMETAP1METAP2CBFBNPC1
SCHEMBL17280240 0.75 SMN1; SMN2 (0.49) KDM4EMETAP1METAP2CBFBNPC1
SCHEMBL12469575 0.75 SMN1; SMN2 (0.41) KDM4EMETAP1METAP2CBFBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1302018-C [ C N ] type bidentate ligand and post-transition metal coordinated olefin polymerization catalyst and preparation method thereof UNIV FUDAN (CN) 2007-02-28 CN claimed
CN-107001375-B 6, 7-dihydropyrazolo [1,5-a ] pyrazin-4 (5H) -one compounds and their use as negative allosteric modulators of MGLUR2 receptors 詹森药业有限公司 2020-06-09 CN disclosed
EP-3227295-B1 6,7-DIHYDROPYRAZOLO[1,5- ]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLU2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2019-02-20 EP disclosed
US-10072014-B2 6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one compounds and their use as negative allosteric modulators of MGLUR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2018-09-11 US disclosed
US-20170369493-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN-CILAG, S.A. (ES) 2017-12-28 US disclosed
WO-2010054253-A1 TRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BIOTIE THERAPIES GMBH (DE) 2010-05-14 WO disclosed
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 US disclosed
EP-1507785-A4 TRANSITION METAL COMPLEXES WITH (PYRIDYL)IMIDAZOLE LIGANDS THERASENSE INC (US) 2007-12-19 EP disclosed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US disclosed
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 US disclosed
EP-1507785-A2 TRANSITION METAL COMPLEXES WITH (PYRIDYL)IMIDAZOLE LIGANDS Therasense, Inc. (US) 2005-02-23 EP disclosed
WO-2004009604-A2 TRANSITION METAL COMPLEXES WITH (PYRIDYL)IMIDAZOLE LIGANDS THERASENSE, INC. (US) 2004-01-29 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 (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-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PDE4A, PDE4B, PDE4D KDM4E 200/4885METAP1 1626/4885METAP2 1980/4885
US-20170369493-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 KDM4E 2069/4885METAP1 4297/4885METAP2 3268/4885
US-10072014-B2 6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one compounds and their use as negative allosteric modulators of MGLUR2 receptors GRM2, GRM5, GRM1 KDM4E 2069/4885METAP1 4297/4885METAP2 3268/4885
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases PDE2A, PDE5A, PDE12 KDM4E 2470/4885METAP1 1264/4885METAP2 454/4885

“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.