SCHEMBL1202152

SCHEMBL1202152

O=C(Nc1nc2c(C(=O)Nc3ncc[nH]3)cccc2[nH]1)c1ncccc1C#CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.40
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
SYK P43405 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGES O14684 1/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PARP1 P09874 7/20 0.33
PARP2 Q9UGN5 4/20 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
SCHEMBL4242344 0.89 RIPK1 (0.43) RIPK1CNR1CNR2SYKGAA
SCHEMBL9611635 0.85 RIPK1 (0.43) RIPK1CNR1CNR2SYKNPC1
SCHEMBL1202466 0.85 RIPK1 (0.40) RIPK1SYKNPC1RAB9AMEN1
SCHEMBL1202325 0.84 MAOB (0.40) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL1201899 0.83 RAB9A (0.37) NPC1RAB9AMEN1KMT2APTGES
SCHEMBL1202053 0.81 NPC1 (0.35) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL1202400 0.80 PTGES (0.39) RIPK1NPC1RAB9AMEN1KMT2A
SCHEMBL9611645 0.77 CNR2 (0.46) RIPK1CNR2NPC1RAB9AMEN1
SCHEMBL8258909 0.76 NPC1 (0.39) NPC1RAB9AMEN1KMT2APTGES
SCHEMBL12846012 0.76 MAOB (0.43) CNR2NPC1RAB9AMEN1KMT2A

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-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 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 (3 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP RIPK1 3079/4885CNR1 3028/4885CNR2 2966/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP RIPK1 2536/4885CNR1 3003/4885CNR2 3079/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP RIPK1 3079/4885CNR1 3028/4885CNR2 2966/4885

“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.