Sugi Predict

Sugi Predict / Compounds / SCHEMBL1014926

SCHEMBL1014926

SCHEMBL1014926

Oc1cccc(-c2c(-c3ccncc3)nn3c(-c4ccc(N5C[C@@H]6C[C@H]5CN6)cc4F)ccnc23)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 20/20 0.80
▸ ABL1 P00519 2/20 0.59
▸ MAPK14 Q16539 2/20 0.59
▸ CHEK1 O14757 1/20 0.59
▸ PRKCB P05771 1/20 0.59
▸ FYN P06241 1/20 0.59
▸ CDK1 P06493 1/20 0.59
▸ LYN P07948 1/20 0.59
▸ MET P08581 1/20 0.59
▸ HCK P08631 1/20 0.59
▸ SRC P12931 1/20 0.59
▸ PDGFRA P16234 1/20 0.59
▸ PRKCA P17252 1/20 0.59
▸ CDK2 P24941 1/20 0.59
▸ MAPKAPK2 P49137 1/20 0.59
▸ MAP4K2 Q12851 1/20 0.59
▸ ROCK1 Q13464 1/20 0.59
▸ RPS6KA1 Q15418 1/20 0.59
▸ AURKB Q96GD4 1/20 0.59
▸ CSNK1G1 Q9HCP0 1/20 0.59

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
SCHEMBL1015564 0.92 BRAF (0.81) BRAFABL1MAPK14CHEK1PRKCB
SCHEMBL1016555 0.91 BRAF (0.80) BRAFABL1MAPK14CHEK1PRKCB
SCHEMBL1017054 0.89 BRAF (1.00) BRAFABL1MAPK14CHEK1PRKCB
SCHEMBL1015836 0.89 BRAF (1.00) BRAFABL1MAPK14CHEK1PRKCB
SCHEMBL1016593 0.86 BRAF (0.80) BRAFABL1MAPK14CHEK1PRKCB
Trifluoroacetic Acid SCHEMBL1016961 0.85 BRAF (0.88) BRAFABL1MAPK14CHEK1PRKCB
SCHEMBL1015905 0.83 BRAF (0.79) BRAFABL1MAPK14EGFRRAF1
SCHEMBL1015460 0.83 BRAF (0.79) BRAFABL1MAPK14CHEK1PRKCB
SCHEMBL3496781 0.82 BRAF (0.68) BRAFABL1MAPK14EGFRRAF1
SCHEMBL1016183 0.82 BRAF (0.68) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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.