SCHEMBL1016393

SCHEMBL1016393

CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 1.00
ABL1 P00519 2/20 0.81
MAPK14 Q16539 2/20 0.81
EGFR P00533 1/20 0.81
RAF1 P04049 1/20 0.81
LCK P06239 1/20 0.81
YES1 P07947 1/20 0.81
RET P07949 1/20 0.81
EPHA1 P21709 1/20 0.81
TEK Q02763 1/20 0.81
CHEK1 O14757 1/20 0.66
PRKCB P05771 1/20 0.66
FYN P06241 1/20 0.66
CDK1 P06493 1/20 0.66
LYN P07948 1/20 0.66
MET P08581 1/20 0.66
HCK P08631 1/20 0.66
SRC P12931 1/20 0.66
PDGFRA P16234 1/20 0.66
PRKCA P17252 1/20 0.66

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
Hydrochloric Acid SCHEMBL1016533 0.99 BRAF (0.98) BRAFABL1MAPK14EGFRRAF1
SCHEMBL1019960 0.95 BRAF (1.00) BRAFABL1MAPK14EGFRRAF1
SCHEMBL3496718 0.93 BRAF (1.00) BRAFABL1MAPK14EGFRRAF1
SCHEMBL1018951 0.91 BRAF (1.00) BRAFABL1MAPK14EGFRRAF1
SCHEMBL1081907 0.91 BRAF (0.84) BRAFABL1MAPK14EGFRRAF1
Hydrochloric Acid SCHEMBL1014255 0.90 BRAF (0.82) BRAFABL1MAPK14EGFRRAF1
SCHEMBL3500863 0.90 BRAF (0.87) BRAFABL1MAPK14EGFRRAF1
SCHEMBL1013337 0.90 BRAF (0.87) BRAFABL1MAPK14EGFRRAF1
SCHEMBL3498725 0.90 BRAF (0.87) BRAFABL1MAPK14EGFRRAF1
SCHEMBL1013970 0.90 BRAF (1.00) BRAFABL1MAPK14EGFRRAF1

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 8 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 claimed
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 claimed
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 claimed
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
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
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-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-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

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-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 BRAF 1/4885ABL1 392/4885MAPK14 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.