SCHEMBL3514911

SCHEMBL3514911

COc1cccc(-c2c(N)n[nH]c2Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
ADORA2A P29274 7/20 0.49
ADORA1 P30542 6/20 0.49
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
DPP4 P27487 1/20 0.45
BTK Q06187 1/20 0.45
ADORA2B P29275 1/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP2C19 P33261 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
LTB4R Q15722 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL8888062 0.75 LTA4H (0.50) LTA4HMEN1ALDH1A1LMNAKMT2A
SCHEMBL20239625 0.74 NR1H2 (0.49) NR1H2NR1H3ADORA2AADORA1TP53
SCHEMBL1016030 0.73 MAPK14 (0.53) NR1H2NR1H3CYP3A4MAPK1KMT2A
SCHEMBL17731014 0.72 AKT2 (0.56) MAPK1CLK4IKBKEKMT2A
SCHEMBL8036864 0.71 NR1H2 (0.51) NR1H2NR1H3ADORA2AADORA1MKNK1
SCHEMBL9787463 0.69 LTB4R (0.49) NR1H2NR1H3MKNK2CYP3A4TSHR
SCHEMBL31739258 0.69 LTA4H (0.67) LTB4RLTA4H
SCHEMBL2092574 0.69 LTA4H (0.67) LTB4RLTA4H
SCHEMBL22636565 0.68 LTA4H (0.49) ADORA2ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28717354 0.68 LTA4H (0.49) LTB4RLTA4HMEN1KMT2A

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-20100324073-A1 Pyrazolo [1,5-A] Pyrimidine Compounds WYETH LLC (US) 2010-12-23 US disclosed
US-20100324073-A1 Pyrazolo [1,5-A] Pyrimidine Compounds WYETH LLC (US) 2010-12-23 US disclosed
US-20100324073-A1 Pyrazolo [1,5-A] Pyrimidine Compounds WYETH LLC (US) 2010-12-23 US disclosed
EP-2235020-A1 PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS Wyeth LLC (US) 2010-10-06 EP disclosed
WO-2009086129-A1 PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS WYETH (US) 2009-07-09 WO disclosed
WO-2009086129-A1 PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS WYETH (US) 2009-07-09 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 (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-20100324073-A1 Pyrazolo [1,5-A] Pyrimidine Compounds NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885ADORA2A 168/4885

“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.