SCHEMBL8418329

SCHEMBL8418329

N#Cc1ccc(F)c(N2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.46
CSF1R P07333 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
KDM4E B2RXH2 3/20 0.42
TP53 P04637 1/20 0.42
MMP1 P03956 1/20 0.42
ALDH1A1 P00352 8/20 0.41
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
AR P10275 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL13736409 0.98 SLC6A9 (0.44) SLC6A9CSF1RCYP11B1CYP11B2KDM4E
SCHEMBL15117102 0.86 SLC6A9 (0.57) SLC6A9CSF1RCYP11B1CYP11B2ALDH1A1
SCHEMBL3164773 0.85 ALDH1A1 (0.57) KDM4ETP53ALDH1A1GAASMN1; SMN2
SCHEMBL29817963 0.83 ALDH1A1 (0.51) KDM4ETP53ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL10164866 0.83 KDM4E (0.55) SLC6A9KDM4ETP53ALDH1A1HPGD
Hydrochloric Acid SCHEMBL23303687 0.83 ALDH1A1 (0.56) KDM4ETP53ALDH1A1GAASMN1; SMN2
SCHEMBL18656449 0.81 DRD2 (0.41) SLC6A9CYP11B1CYP11B2KDM4ETP53
SCHEMBL29818036 0.80 ALDH1A1 (0.45) KDM4ETP53ALDH1A1GFERKMT2A
SCHEMBL4451927 0.79 NOTUM (0.47) SLC6A9CSF1RKDM4EMMP1ALDH1A1
SCHEMBL3085427 0.76 S100B (0.59) CSF1RKDM4EMMP1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7465740-B2 2-heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-12-16 US disclosed
US-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2007-03-22 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-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 SLC6A9 1468/4885CSF1R 2111/4885CYP11B1 3181/4885

“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.