SCHEMBL1016030

SCHEMBL1016030

COc1cccc(-c2c(N)n[nH]c2-c2ccncc2)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.53
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPK13 O15264 2/20 0.51
MAPK12 P53778 2/20 0.51
MAPK11 Q15759 2/20 0.51
RAF1 P04049 1/20 0.51
GCGR P47871 1/20 0.48
CDC7 O00311 1/20 0.48
CYP3A4 P08684 1/20 0.48
ILK Q13418 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
RPS6KA3 P51812 1/20 0.45
ALOX5 P09917 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 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
SCHEMBL3655297 0.81 PIK3CD (0.57) MAPK14MAPK1NPSR1CYP3A4ILK
SCHEMBL5454847 0.80 CDC7 (0.49) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL1013845 0.80 CYP3A4 (0.61) MAPK14MAPK1NPSR1MAPK13MAPK12
SCHEMBL1017069 0.79 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6132051 0.78 MAPK1 (0.83) MAPK14MAPK1NPSR1CYP3A4ILK
SCHEMBL8036864 0.77 NR1H2 (0.51) CYP3A4NR1H2NR1H3KDM4EKMT2A
SCHEMBL3653300 0.77 MAPK14 (0.54) MAPK14MAPK1NPSR1MAPK13MAPK12
SCHEMBL1459110 0.75 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL8382254 0.75 NPC1 (0.62) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL3514911 0.73 NR1H2 (0.50) MAPK1CYP3A4NR1H2NR1H3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102083835-A Bridged, bicyclic heterocyclic or spiro bicyclic heterocyclic derivatives of pyrazolo[1,5-A]pyrimidines, methods for preparation and uses thereof WYETH CORP 2011-06-01 CN disclosed
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
US-20090082354-A1 PYRAZOLO[5, 1-C] [1,2,4] TRIAZINES, METHODS FOR PREPARATION AND USE THEREOF WYETH (US) 2009-03-26 US 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 MAPK14 242/4885MAPK1 47/4885NPSR1 2187/4885
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 MAPK14 70/4885MAPK1 34/4885NPSR1 4378/4885

“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.