SCHEMBL1014957

SCHEMBL1014957

c1cc(-c2cc3nccc(-c4ccc(N5C[C@@H]6C[C@H]5CN6)nc4)n3n2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.49
CSNK1E P49674 2/20 0.49
IRAK4 Q9NWZ3 1/20 0.42
RET P07949 2/20 0.42
MAP3K12 Q12852 1/20 0.41
HDAC1 Q13547 1/20 0.40
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40

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
SCHEMBL1019923 0.87 BRAF (0.63) BRAFCSNK1ECHRNB2CHRNA4CHRNB4
SCHEMBL1013424 0.82 CHRNA7 (0.53) BRAF
SCHEMBL1016329 0.72 HTT (0.54) BRAFNPC1LMNAMAPTRAB9A
SCHEMBL22330323 0.69 CHRNB2 (0.55) HDAC1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL477115 0.67 CSNK1E (0.76) CSNK1ECHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL477116 0.67 CSNK1E (0.76) CSNK1ECHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL477094 0.67 CSNK1E (0.61) CSNK1EIRAK4CHRNB2CHRNA4
SCHEMBL477093 0.67 CSNK1E (0.61) CSNK1EIRAK4CHRNB2CHRNA4
SCHEMBL21210815 0.67 IRAK4 (0.43) BRAFCSNK1EIRAK4RETMAP3K12
SCHEMBL30027920 0.67 IRAK4 (0.43) BRAFCSNK1EIRAK4RETMAP3K12

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 3 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
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 1/4885CSNK1E 1128/4885IRAK4 821/4885

“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.