SCHEMBL3523472

SCHEMBL3523472

CC(C)(C)n1nc2c(Cl)nc(-c3ccc(Cl)cc3)cn2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ ENPP2 Q13822 2/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ RIPK2 O43353 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL5545591 0.75 ENPP2 (0.48) MAPTENPP2TP53
SCHEMBL5346278 0.62 KDM4E (0.47) NPC1RAB9AKDM4EALDH1A1GAA
SCHEMBL5550098 0.61 KDM4E (0.31) KDM4EALDH1A1HPGD
SCHEMBL3671294 0.60 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3525385 0.59 PDE5A (0.43) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL17391729 0.59 KDM4E (0.80) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL17401345 0.59 ENPP2 (0.67) ENPP2
SCHEMBL3718525 0.59 KEAP1 (0.43) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL18439079 0.59 MAP2K1 (0.74) NPC1RAB9AALDH1A1MAPTFYN
SCHEMBL15331156 0.59 RIPK2 (0.46) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709473-B2 Substituted 2H-[1,2,4]triazolo[4,3-a]pyrazines as GSK-3 inhibitors PFIZER INC. (US) 2010-05-04 — — US disclosed
US-20070249612-A1 Substituted 2H-[1,2,4]Triazolo[4,3-A]Pyrazines as Gsk-3 Inhibitors BENBOW JOHN W 2007-10-25 — — US disclosed
EP-1678180-B1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2007-08-08 — — EP disclosed
EP-1678180-A1 SUBSTITUTED 2H- 1,2,4 TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS Pfizer Products Incorporated (US) 2006-07-12 — — EP disclosed
WO-2005035532-A1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO[4,3-A]PYRAZINES AS GSK-3 INHIBITORS PFIZER PRODUCTS INC. (US) 2005-04-21 — — 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-20070249612-A1 Substituted 2H-[1,2,4]Triazolo[4,3-A]Pyrazines as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP NPC1 3740/4885RAB9A 1347/4885SMN1; SMN2 4001/4885

“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.

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