SCHEMBL1013845

SCHEMBL1013845

Nc1n[nH]c(-c2ccncc2)c1-c1cccc(O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.61
RPS6KA3 P51812 1/20 0.58
MAPK14 Q16539 2/20 0.57
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ILK Q13418 2/20 0.48
RAF1 P04049 2/20 0.48
MAPK13 O15264 1/20 0.48
BRAF P15056 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
BRDT Q58F21 1/20 0.48
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
PRKDC P78527 1/20 0.48
DYRK1A Q13627 2/20 0.44
DYRK1B Q9Y463 1/20 0.44
HSD17B1 P14061 1/20 0.43

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
SCHEMBL6132051 0.82 MAPK1 (0.83) CYP3A4RPS6KA3MAPK14MAPK1NPSR1
SCHEMBL1016030 0.80 MAPK14 (0.53) CYP3A4RPS6KA3MAPK14MAPK1NPSR1
SCHEMBL3656155 0.78 MAPK14 (0.58) CYP3A4RPS6KA3MAPK14MAPK1NPSR1
SCHEMBL1017850 0.77 BRAF (0.48) CYP3A4MAPK14RAF1MAPK13BRAF
SCHEMBL14519415 0.77 RAF1 (0.49) CYP3A4RPS6KA3MAPK14RAF1MAPK13
SCHEMBL3655297 0.76 PIK3CD (0.57) CYP3A4RPS6KA3MAPK14MAPK1NPSR1
SCHEMBL6076585 0.73 MAPK14 (1.00) RPS6KA3MAPK14MAPK1NPSR1ILK
SCHEMBL6179977 0.73 MAPK14 (1.00) RPS6KA3MAPK14MAPK1NPSR1ILK
SCHEMBL5820038 0.72 MAPK1 (1.00) CYP3A4RPS6KA3MAPK14MAPK1NPSR1
SCHEMBL1138550 0.72 CYP17A1 (0.70) CYP3A4MAPK14RAF1MAPK13BRAF

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 CYP3A4 1854/4885RPS6KA3 534/4885MAPK14 242/4885
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 CYP3A4 2482/4885RPS6KA3 399/4885MAPK14 70/4885

“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.