SCHEMBL451695

SCHEMBL451695

[c]1[c]c2cccnc2cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 5/20 0.38
RPS6KA5 O75582 1/20 0.34
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 2/20 0.32
HTT P42858 4/20 0.31
LMNA P02545 3/20 0.31
HSP90AA1 P07900 3/20 0.31
MEN1 O00255 2/20 0.31
CASP1 P29466 2/20 0.31
KMT2A Q03164 2/20 0.31
HSP90AB1 P08238 2/20 0.31
HIF1A Q16665 2/20 0.31
TP53 P04637 2/20 0.31
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CASP7 P55210 1/20 0.31

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
SCHEMBL17326872 0.74 MAPT (0.39) MAPTKDM4EALDH1A1RPS6KA5NPC1
SCHEMBL18594 0.71 ALDH1A1 (0.44) MAPTKDM4EALDH1A1RPS6KA5NPC1
SCHEMBL452564 0.70
SCHEMBL452436 0.68 KDM4E (0.30) MAPTKDM4EALDH1A1POLBMEN1
SCHEMBL452301 0.68 MAPT (0.33) MAPTALDH1A1
SCHEMBL275756 0.67 MAPT (0.41) MAPTKDM4EALDH1A1RPS6KA5NPC1
SCHEMBL994997 0.65
SCHEMBL6345969 0.65 NUDT1 (0.31) MAPTKDM4ECYP3A4HTTLMNA
SCHEMBL448468 0.65 TSHR (0.39) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL6486047 0.64 MAPT (0.43) MAPTKDM4EALDH1A1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-08-06 US disclosed
US-9029381-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2015-05-12 US disclosed
EP-2805937-A1 Cyclopropyl amide derivatives AstraZeneca AB (SE) 2014-11-26 EP disclosed
EP-2253615-B1 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2014-07-09 EP disclosed
EP-2195293-B1 CYCLOPTOPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2013-10-16 EP disclosed
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 ASTRAZENECA AB (SE) 2012-03-15 US disclosed
US-8063215-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2011-11-22 US disclosed
EP-2253615-A1 Cyclopropyl amide derivatives AstraZeneca AB (SE) 2010-11-24 EP disclosed
EP-2195293-A2 CYCLOPTOPYL AMIDE DERIVATIVES AstraZeneca AB (SE) 2010-06-16 EP disclosed
WO-2010062245-A1 SPIROCYCLOBUTYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-03 WO disclosed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
WO-2009024823-A2 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
US-6090512-A PHOTORECEPTOR INCLUDING CONDUCTIVE SUBSTRATE AND PHOTOSENSITIVE LAYER CONTAINING ARYLAMINE COMPOUND MITSUBISHI CHEMICAL CORPORATION (JP) 2000-07-18 US disclosed
EP-0353335-B1 Photoreceptor for electrophotography MITSUBISHI CHEM IND (JP) 1995-01-18 EP disclosed
US-4921770-A Photoreceptor for electrophotography MITSUBISHI KASEI CORPORATION, A JOINT-STOCK COMPANY OF JAPAN (JP) 1990-05-01 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-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES HRH4, HRH2, HRH3 MAPT 1670/4885KDM4E 2084/4885ALDH1A1 1108/4885
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives HRH3, HRH4, HRH2 MAPT 2228/4885KDM4E 1779/4885ALDH1A1 486/4885
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 HRH4, HRH2, HRH3 MAPT 1618/4885KDM4E 1721/4885ALDH1A1 1335/4885
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 HRH2, HRH4, HRH3 MAPT 1361/4885KDM4E 1573/4885ALDH1A1 1104/4885

“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.