SCHEMBL8256371

SCHEMBL8256371

CC(=O)c1ccc(F)c(N2CCNCC2)c1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
LMNA P02545 1/20 0.43
HTR2C P28335 2/20 0.39
ACVR1 Q04771 1/20 0.37
TSHR P16473 2/20 0.36
KDR P35968 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAOB P27338 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL30798658 0.85 ACVR1 (0.45) ALDH1A1LMNAHTR2CACVR1MAPT
SCHEMBL8251216 0.76 ADRB1 (0.47) ALDH1A1LMNAHTR2CTSHRHTR2A
SCHEMBL4433812 0.76 ACVR1 (0.50) ALDH1A1HTR2CACVR1TSHRKDR
SCHEMBL26181620 0.73 ALDH1A1 (0.43) ALDH1A1LMNAHTR2CTSHRKDR
SCHEMBL4429743 0.73 KDR (0.48) ALDH1A1LMNATSHRKDRHTR2B
SCHEMBL30311470 0.72 ALB (0.47) ALDH1A1LMNATSHRUSP2HSD17B10
SCHEMBL8257529 0.71 TSHR (0.54) ALDH1A1LMNATSHRHSD17B10MAPT
SCHEMBL8257500 0.71 TSHR (0.57) ALDH1A1LMNATSHRHSD17B10MAPT
SCHEMBL5368737 0.71 HTR6 (0.49) ALDH1A1LMNAHTR2CTSHRHTR2A
SCHEMBL8226148 0.70 TTR (0.47) ALDH1A1LMNATSHRKDRMAPT

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 6 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-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-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 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-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 ALDH1A1 591/4885LMNA 4065/4885HTR2C 8/4885

“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.