SCHEMBL17351341

SCHEMBL17351341

N#Cc1c(-c2cccc(F)c2)c2c([nH]c1=O)CCCCC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.61
IDO1 P14902 2/20 0.55
HSD11B1 P28845 1/20 0.47
ALDH1A1 P00352 6/20 0.46
APOBEC3G Q9HC16 2/20 0.46
GAA P10253 1/20 0.46
CUL4A Q13619 6/20 0.45
HPGD P15428 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 4/20 0.40
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL17351380 0.99 PDE9A (0.62) PDE9AIDO1HSD11B1ALDH1A1APOBEC3G
SCHEMBL17351319 0.88 PDE9A (0.67) PDE9AIDO1HSD11B1ALDH1A1APOBEC3G
SCHEMBL15573256 0.86 PDE9A (0.61) PDE9AIDO1HSD11B1ALDH1A1APOBEC3G
SCHEMBL17351326 0.85 PDE9A (0.74) PDE9AIDO1HSD11B1ALDH1A1APOBEC3G
SCHEMBL17351484 0.83 PDE9A (0.76) PDE9AIDO1HSD11B1ALDH1A1APOBEC3G
SCHEMBL19953000 0.81 PDE9A (0.71) PDE9AIDO1HSD11B1ALDH1A1APOBEC3G
SCHEMBL17351433 0.78 CUL4A (0.72) PDE9AHSD11B1ALDH1A1APOBEC3GGAA
SCHEMBL18060293 0.78 PDE9A (0.70) PDE9AHSD11B1ALDH1A1APOBEC3GGAA
SCHEMBL17351400 0.77 PDE9A (0.70) PDE9AHSD11B1ALDH1A1APOBEC3GGAA
SCHEMBL17351455 0.77 PDE9A (0.65) PDE9AHSD11B1ALDH1A1APOBEC3GGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562052-B2 Bicyclicpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2017-02-07 US disclosed
US-9562052-B2 Bicyclicpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2017-02-07 US disclosed
EP-2888245-B1 NEW BICYCLICPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-09-21 EP disclosed
US-20150368256-A1 NEW BICYCLICPYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-12-24 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 (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-20150368256-A1 NEW BICYCLICPYRIDINE DERIVATIVES CACNA1E, CHRM1, CHRM2 PDE9A 918/4885IDO1 1470/4885HSD11B1 4437/4885

“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.