SCHEMBL8259871

SCHEMBL8259871

Cc1ccc(N2C(=O)OCC2CO)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
CCR2 P41597 1/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
GFER P55789 1/20 0.38
CALML3 P27482 4/20 0.38
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
IDH1 O75874 4/20 0.35
P2RX3 P56373 2/20 0.35
P2RX2 Q9UBL9 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34

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
SCHEMBL8251549 0.85 MAPT (0.39) CCR1CCR2CYP1A2CYP3A4CYP2C19
SCHEMBL8251051 0.84 IDH1 (0.38) HDAC1HDAC8HDAC6CALML3IDH1
SCHEMBL8281158 0.84 F10 (0.39) HDAC1HDAC8HDAC6CALML3IDH1
SCHEMBL6100542 0.81 IDH1 (0.37) HDAC1HDAC8HDAC6IDH1PIK3CA
SCHEMBL13344776 0.78 F10 (0.45) CALML3MAOAMAOBALDH1A1
SCHEMBL1711947 0.77 QPCT (0.38) CCR1CCR2HDAC1HDAC8HDAC6
SCHEMBL9845302 0.76 HSP90AA1 (0.40) CYP1A2CYP2C19SMN1; SMN2IDH1ALDH1A1
SCHEMBL8123321 0.75 SMN1; SMN2 (0.39) CCR1CCR2MAPTSMN1; SMN2TP53
SCHEMBL2366159 0.75 IDH1 (0.39) MAPTSMN1; SMN2TP53IDH1P2RX3
SCHEMBL2366165 0.75 IDH1 (0.39) MAPTSMN1; SMN2TP53IDH1P2RX3

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 CCR1 298/4885CCR2 154/4885HDAC1 2694/4885

“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.