SCHEMBL5262099

SCHEMBL5262099

C#CCc1cc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
AHR P35869 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
AOC3 Q16853 2/20 0.44
PCSK9 Q8NBP7 1/20 0.42
OPRK1 P41145 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL29851915 1.00 LOXL2 (0.58) LOXL2AHRHRH3HRH4MTNR1A
Methane SCHEMBL29165338 0.98 LOXL2 (0.56) LOXL2AHRHRH3HRH4MTNR1A
SCHEMBL30939452 0.81 LOXL2 (0.58) LOXL2AHRHRH3HRH4MTNR1A
SCHEMBL396373 0.81 LOXL2 (0.58) LOXL2AHRHRH3HRH4MTNR1A
SCHEMBL347687 0.81 LOXL2 (0.58) LOXL2AHRHRH3HRH4MTNR1A
SCHEMBL1308753 0.81 LOXL2 (0.58) LOXL2AHRHRH3HRH4MTNR1A
SCHEMBL31230610 0.78 LOXL2 (0.55) LOXL2AHRHRH3HRH4MTNR1A
SCHEMBL31059889 0.77 LOXL2 (0.69) LOXL2AHRHRH3HRH4MTNR1A
SCHEMBL7169246 0.77 LOXL2 (0.69) LOXL2AHRHRH3HRH4MTNR1A
SCHEMBL401081 0.77 LOXL2 (0.69) LOXL2AHRHRH3HRH4MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115043846-B Preparation method of 2-oxo alkyl-9H-pyrrolo [1,2-a ] indol-9-one compound 西北师范大学 2023-09-15 CN claimed
CN-115043846-A Preparation method of 2-oxoalkyl-9H-pyrrolo [1,2-a ] indole-9-ketone compound 西北师范大学 2022-09-13 CN claimed
CN-115043846-B Preparation method of 2-oxo alkyl-9H-pyrrolo [1,2-a ] indol-9-one compound 西北师范大学 2023-09-15 CN disclosed
CN-115043846-B Preparation method of 2-oxo alkyl-9H-pyrrolo [1,2-a ] indol-9-one compound 西北师范大学 2023-09-15 CN disclosed
CN-115043846-A Preparation method of 2-oxoalkyl-9H-pyrrolo [1,2-a ] indole-9-ketone compound 西北师范大学 2022-09-13 CN disclosed
CN-115043846-A Preparation method of 2-oxoalkyl-9H-pyrrolo [1,2-a ] indole-9-ketone compound 西北师范大学 2022-09-13 CN disclosed
CN-110698483-B Synthesis of 2-sulfonyl-9H-pyrrolo [1,2-a ] indole compound 湖南理工学院 2021-12-10 CN disclosed
CN-110698483-A Synthesis of 2-sulfonyl-9H-pyrrolo [1,2-a ] indole compound 湖南理工学院 2020-01-17 CN disclosed
CN-109232580-A A kind of synthetic method of 1H- pyrrolo- [1,2-a] indoles -2 (3-H) -one 南阳师范学院 2019-01-18 CN disclosed
CN-100562319-C 2-cyanopyrrole and pyrimidine and its pharmaceutical use NOVARTIS AG (CH) 2009-11-25 CN disclosed
EP-1592426-B1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2007-12-19 EP disclosed
US-20060247251-A1 2-Cyanopyrrolopyrimidines and pharmaceutical uses thereof NOVARTIS AG (CH) 2006-11-02 US disclosed
CN-1756553-A 2-cyanopyrrolopyrimidines and pharmaceutical uses thereof NOVARTIS AG (CH) 2006-04-05 CN disclosed
EP-1592426-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2005-11-09 EP disclosed
WO-2004069256-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-08-19 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-20060247251-A1 2-Cyanopyrrolopyrimidines and pharmaceutical uses thereof DPYD, P2RY1, P2RY2 LOXL2 3119/4885AHR 2721/4885HRH3 1363/4885

“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.