SCHEMBL1016280

SCHEMBL1016280

COc1cc(-c2c(-c3ccncc3)n[nH]c2N)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.46
ILK Q13418 1/20 0.43
PAX8 Q06710 1/20 0.43
BRAF P15056 4/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK13 O15264 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2C P28335 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
KDM1A O60341 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
CYP17A1 P05093 1/20 0.38

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
SCHEMBL1015963 0.85 DYRK1A (0.51) LRRK2BRAFALDH1A1KDM4EMAPK11
SCHEMBL28861994 0.77 FYN (0.50) PAX8KDM4EKDRABL1MEN1
SCHEMBL1017069 0.77 MAPK14 (0.51) LRRK2BRAFKDM4EMAPK13ADORA2A
SCHEMBL687044 0.77 ILK (0.72) ILK
SCHEMBL6177789 0.77 MAPK14 (0.59) BRAFMAPK13MAPK12MAPK11MAPK14
SCHEMBL7491106 0.77 MAPK14 (0.59) BRAFMAPK13MAPK12MAPK11MAPK14
SCHEMBL15452462 0.76 ACHE (0.56) ALDH1A1KDM4EADORA1KDRMEN1
Ammonia Solution, Strong SCHEMBL1016316 0.74 KIT (0.41) LRRK2PAX8BRAFALDH1A1MAPK13
SCHEMBL5255543 0.74 MAPK11 (0.52) BRAFMAPK13MAPK12MAPK11MAPK14
SCHEMBL5254401 0.73 ILK (0.49) ILKPAX8ALDH1A1KDM4EMAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271649-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF Wyeth LLC (US) 2011-01-12 EP disclosed
EP-2203453-A1 PYRAZOLO[5, 1-C] [1,2,4]TRIAZINES, METHODS FOR PREPARATION AND USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2010-07-07 EP disclosed
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof WYETH (US) 2010-02-04 US disclosed
WO-2009111260-A1 PHENYLSULFONAMIDE-SUBSTITUTED, PYRAZOLO[1, 5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-11 WO disclosed
WO-2009108838-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 WO disclosed
WO-2009039387-A1 PYRAZOLO[5, 1-C] [1,2,4] TRIAZINES, METHODS FOR PREPARATION AND USE THEREOF WYETH (US) 2009-03-26 WO disclosed
US-20090082354-A1 PYRAZOLO[5, 1-C] [1,2,4] TRIAZINES, METHODS FOR PREPARATION AND USE THEREOF WYETH (US) 2009-03-26 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 (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-20090082354-A1 PYRAZOLO[5, 1-C] [1,2,4] TRIAZINES, METHODS FOR PREPARATION AND USE THEREOF RAF1, BRAF, ARAF LRRK2 837/4885ILK 4004/4885PAX8 4110/4885
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof BRAF, RAF1, ARAF LRRK2 671/4885ILK 1883/4885PAX8 2739/4885

“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.