SCHEMBL1773002

SCHEMBL1773002

COc1c[nH]c2ncc(N)cc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIT P10721 15/20 0.49
NTRK1 P04629 4/20 0.49
PIK3CA P42336 1/20 0.49
MAP3K11 Q16584 2/20 0.47
DYRK1A Q13627 1/20 0.44
LRRK2 Q5S007 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
SCHEMBL1772830 0.83 KIT (0.39) KITNTRK1PIK3CAMAP3K11
SCHEMBL24565966 0.81 KIT (0.48) KITMAP3K11DYRK1A
SCHEMBL25303525 0.79 DYRK1A (0.50) KITPIK3CAMAP3K11DYRK1A
SCHEMBL10269012 0.77 MET (0.43) KITNTRK1PIK3CAMAP3K11DYRK1A
SCHEMBL1093196 0.75 RPS6KA5 (0.42) KITNTRK1PIK3CAMAP3K11DYRK1A
SCHEMBL10029796 0.73 PIK3CA (0.47) NTRK1PIK3CADYRK1ALRRK2
SCHEMBL25971496 0.73 BRD4 (0.47) KITNTRK1PIK3CAMAP3K11DYRK1A
SCHEMBL24005850 0.73 PRMT5 (0.42) KITNTRK1MAP3K11DYRK1A
SCHEMBL1774189 0.72 NTRK1 (0.38) KITNTRK1PIK3CAMAP3K11DYRK1A
SCHEMBL1772956 0.72 MAP3K11 (0.39) KITNTRK1PIK3CAMAP3K11DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265608-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2010-12-29 EP claimed
WO-2009111278-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-09-11 WO claimed
US-8338452-B2 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-25 US disclosed
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Bio Pharma Inc. (US) 2011-05-12 US disclosed
EP-2265608-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111278-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-09-11 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-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KIT 977/4885NTRK1 633/4885PIK3CA 99/4885

“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.