SCHEMBL17540754

SCHEMBL17540754

N#CC(C#N)=Cc1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.64
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 7/20 0.53
KDM4E B2RXH2 5/20 0.53
NPC1 O15118 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 5/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 2/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
TRPA1 O75762 1/20 0.44
HTT P42858 1/20 0.43
EGFR P00533 1/20 0.42
IGF1R P08069 1/20 0.42

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
SCHEMBL9445874 0.81 RAB9A (0.60) RAB9ATDP1MAPTKDM4ENPC1
SCHEMBL9445878 0.81 RAB9A (0.60) RAB9ATDP1MAPTKDM4ENPC1
SCHEMBL10906195 0.77 RAB9A (0.55) RAB9ATDP1MAPTKDM4ENPC1
SCHEMBL21891546 0.77 RAB9A (0.51) RAB9ATDP1MAPTKDM4ENPC1
SCHEMBL16646924 0.75 RAB9A (0.54) RAB9ATDP1MAPTKDM4ENPC1
SCHEMBL25670655 0.75 MCL1 (0.58) RAB9ATDP1MAPTKDM4ENPC1
SCHEMBL18164148 0.75 RAB9A (0.54) RAB9ATDP1MAPTKDM4ENPC1
SCHEMBL11562835 0.74 RAB9A (0.53) RAB9ATDP1MAPTKDM4ENPC1
SCHEMBL25415051 0.74 TDP1 (0.67) RAB9ATDP1MAPTKDM4ENPC1
SCHEMBL17030776 0.73 KMT2A (0.54) RAB9ATDP1MAPTKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113717076-B Preparation method for obtaining methane functional product based on iron/light combined catalysis 大连理工大学 2022-08-02 CN claimed
CN-107417859-A A kind of high melt strength, propylene and preparation method of heteroaromatic ring derivative grafting 中国石油化工股份有限公司 2017-12-01 CN claimed
CN-113717076-B Preparation method for obtaining methane functional product based on iron/light combined catalysis 大连理工大学 2022-08-02 CN disclosed
CN-113717076-A Preparation method for obtaining methane functional product based on iron/light combined catalysis 大连理工大学 2021-11-30 CN disclosed
CN-107417859-B High-melt-strength polypropylene grafted by heteroaromatic ring derivative and preparation method thereof 中国石油化工股份有限公司 2021-02-26 CN disclosed
US-10377711-B2 Cannabinoid type 1 receptor modulators THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2019-08-13 US disclosed
US-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2018-05-03 US disclosed
CN-107417859-A A kind of high melt strength, propylene and preparation method of heteroaromatic ring derivative grafting 中国石油化工股份有限公司 2017-12-01 CN disclosed
EP-3186225-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS The Governing Council of the University of Toronto (CA) 2017-07-05 EP disclosed
WO-2016029310-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-03-03 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 (2 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-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS CNR1, CNR2, GPR18 RAB9A 1328/4885TDP1 3599/4885MAPT 2186/4885
US-10377711-B2 Cannabinoid type 1 receptor modulators CNR1, CNR2, GPR18 RAB9A 1328/4885TDP1 3599/4885MAPT 2186/4885

“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.