SCHEMBL2867597

SCHEMBL2867597

Nc1nc(-c2ccccc2)nc(Cl)c1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
HTT P42858 1/20 0.66
DHPS P49366 1/20 0.51
ADORA2A P29274 6/20 0.50
ADORA1 P30542 5/20 0.50
ADORA3 P0DMS8 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
ADORA2B P29275 1/20 0.50
ADK P55263 1/20 0.48
DPP4 P27487 4/20 0.47
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NOTUM Q6P988 1/20 0.44
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL3427195 0.86 MEN1 (0.65) KMT2AMEN1HTTDHPSADORA2A
SCHEMBL24500380 0.82 KMT2A (0.81) KMT2AMEN1HTTDHPSADORA2A
SCHEMBL30560083 0.82 KMT2A (0.81) KMT2AMEN1HTTDHPSADORA2A
SCHEMBL31626660 0.82 MEN1 (0.61) KMT2AMEN1HTTDHPSADORA2A
Methyl Alcohol SCHEMBL10711715 0.80 MEN1 (0.59) KMT2AMEN1HTTDHPSADORA2A
SCHEMBL4663325 0.79 MEN1 (1.00) KMT2AMEN1HTTDHPSADORA2A
SCHEMBL21399135 0.78 KMT2A (0.57) KMT2AMEN1HTTADORA2AADORA1
SCHEMBL2867595 0.77 MEN1 (0.55) KMT2AMEN1HTTDHPSADORA2A
SCHEMBL26167674 0.77 LMNA (0.70) KMT2AMEN1HTTDHPSADORA2A
SCHEMBL8660654 0.76 LMNA (0.58) KMT2AMEN1HTTDHPSADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10836761-B2 Cinchonine-derived catalysts and methods of using same BRANDEIS UNIVERSITY (US) 2020-11-17 US disclosed
US-20200048243-A1 CINCHONINE-DERIVED CATALYSTS AND METHODS OF USING SAME BRANDEIS UNIVERSITY (US) 2020-02-13 US disclosed
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 US disclosed
EP-1730125-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-13 EP disclosed
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 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 (4 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-10836761-B2 Cinchonine-derived catalysts and methods of using same MCM2, MCM7, MCM5 KMT2A 2038/4885MEN1 210/4885HTT 2312/4885
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP KMT2A 596/4885MEN1 680/4885HTT 18/4885
US-20200048243-A1 CINCHONINE-DERIVED CATALYSTS AND METHODS OF USING SAME MCM2, MCM7, MCM5 KMT2A 2038/4885MEN1 210/4885HTT 2312/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP KMT2A 596/4885MEN1 680/4885HTT 18/4885

“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.