SCHEMBL4241583

SCHEMBL4241583

Nc1nc2cccc(C(=O)NCc3ccc(Cl)cc3)c2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
POLA1 P09884 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
EGLN1 Q9GZT9 1/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL4239965 0.89 SMN1; SMN2 (0.55) ADORA2AADORA1KMT2ALMNATP53
SCHEMBL4239341 0.88 HPGD (0.57) ADORA2AADORA1KMT2AALDH1A1LMNA
SCHEMBL4246316 0.88 KMT2A (0.52) KMT2ALMNAEGLN1HTTL3MBTL1
SCHEMBL4241582 0.86 POLA1 (0.46) ADORA2AADORA1POLA1MEN1KMT2A
SCHEMBL4239188 0.85 HPGD (0.52) ALDH1A1LMNATP53EGLN1HPGD
SCHEMBL4241186 0.85 KMT2A (0.55) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL4246337 0.85 KLKB1 (0.44) KMT2AALDH1A1HPGDSMN1; SMN2GALR3
SCHEMBL4244275 0.82 HTR2C (0.51) EGLN1
SCHEMBL4242338 0.82 EGLN1 (0.46) KMT2AALDH1A1EGLN1HTTHPGD
SCHEMBL4243705 0.81 ROCK1 (0.50) ADORA2AADORA1ALDH1A1TP53HTT

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-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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 ADORA2A 3841/4885ADORA1 1923/4885POLA1 1144/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP ADORA2A 3841/4885ADORA1 1923/4885POLA1 1144/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ADORA2A 3841/4885ADORA1 1923/4885POLA1 1144/4885

“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.