SCHEMBL10100779

SCHEMBL10100779

COc1ccc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN4CCOCC4)c(C)c3F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.43
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
KIT P10721 1/20 0.42
LRRK2 Q5S007 5/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TGFBR1 P36897 1/20 0.39
FYN P06241 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
SLC2A1 P11166 1/20 0.39
AXL P30530 1/20 0.38
PTPN1 P18031 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL10100596 0.95 MET (0.43) METPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL10100720 0.93 MCHR1 (0.40) TGFBR1FYNBCHEACHEAXL
SCHEMBL10100778 0.93 LRRK2 (0.42) METKITLRRK2FYNAXL
SCHEMBL10100767 0.92 MCHR1 (0.40) TGFBR1FYNPTPN1
SCHEMBL10100776 0.91 NTRK1 (0.40) METPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL10100751 0.90 POLB (0.40) METKITLRRK2AXLPIK3CA
SCHEMBL10100748 0.90 ALK (0.39) METKITLRRK2AXLPIK3CA
SCHEMBL10100755 0.89 HTR2C (0.40) KITLRRK2AXLPIK3CAOXTR
SCHEMBL10100706 0.89 MET (0.40) METPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL10100747 0.88 ALK (0.45) METKITLRRK2FYNALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US 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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 MET 1/4885PRKAB2 189/4885PRKAG1 94/4885

“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.