SCHEMBL4127799

SCHEMBL4127799

ON=C1NCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
PARP1 P09874 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
HTR5A P47898 2/20 0.35
LMNA P02545 1/20 0.35
PDPK1 O15530 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
TYRO3 Q06418 1/20 0.33

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
SCHEMBL10700451 0.83 CA12 (0.54) CA12CA9PARP1HSD17B10ALOX15
SCHEMBL4140134 0.80 PARP10 (0.53) CA12CA9HPGDL3MBTL1ALDH1A1
SCHEMBL4140136 0.80 PARP10 (0.53) CA12CA9HPGDL3MBTL1ALDH1A1
SCHEMBL10920408 0.79 CA12 (0.50) CA12CA9HPGDALDH1A1PARP1
SCHEMBL1567419 0.79 CA12 (0.50) CA12CA9HPGDALDH1A1PARP1
Water SCHEMBL3401398 0.79 PARP10 (0.52) CA12CA9HPGDL3MBTL1ALDH1A1
SCHEMBL3371709 0.71 CA12 (0.56) CA12CA9PARP1HSD17B10ALOX15
SCHEMBL11216422 0.71 CA12 (0.42) CA12CA9L3MBTL1ALDH1A1CYP1A2
SCHEMBL11040034 0.71 CA12 (0.42) CA12CA9L3MBTL1ALDH1A1CYP1A2
SCHEMBL7755455 0.70 CA12 (0.41) CA12CA9L3MBTL1ALDH1A1CYP1A2

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
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS LAIRD ELLEN 2009-07-09 US disclosed
US-7491829-B2 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. (US) 2009-02-17 US disclosed
CN-101282960-A RAF inhibitor compounds and methods GENENTECH INC (US) 2008-10-08 CN disclosed
EP-1846391-A2 RAF INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2007-10-24 EP disclosed
US-20060189627-A1 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. 2006-08-24 US disclosed
WO-2006084015-A2 RAF INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2006-08-10 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 (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-20060189627-A1 RAF inhibitor compounds and methods BRAF, RAF1, ARAF CA12 4630/4885CA9 4117/4885HPGD 1331/4885
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS BRAF, RAF1, ARAF CA12 4630/4885CA9 4117/4885HPGD 1331/4885

“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.