SCHEMBL2298310

SCHEMBL2298310

[CH](Cc1ccccn1)c1ccc2ncccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
MAPT P10636 7/20 0.51
POLB P06746 2/20 0.51
ATM Q13315 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
ALDH1A1 P00352 9/20 0.49
CYP3A4 P08684 2/20 0.47
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 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
SCHEMBL8670948 0.86 SMN1; SMN2 (0.46) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL496860 0.75 NPC1 (0.60) NPC1RAB9AMAPTPOLBATM
SCHEMBL29953906 0.75 NPC1 (0.60) NPC1RAB9AMAPTPOLBATM
SCHEMBL28864707 0.75 NPC1 (0.60) NPC1RAB9AMAPTPOLBATM
SCHEMBL8560497 0.75 RAB9A (0.43) NPC1RAB9AMAPTPOLBALDH1A1
SCHEMBL9514491 0.75 ALDH1A1 (0.46) NPC1RAB9AMAPTMEN1KMT2A
Quinoline SCHEMBL28319703 0.74 ALDH1A1 (0.59) NPC1RAB9AMAPTPOLBATM
SCHEMBL27765162 0.74 NPC1 (0.58) NPC1RAB9AMAPTPOLBATM
SCHEMBL710102 0.73 NPC1 (0.67) NPC1RAB9AMAPTPOLBATM
SCHEMBL710103 0.73 NPC1 (0.67) NPC1RAB9AMAPTPOLBATM

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-03-12 US claimed
EP-0788360-B3 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARM INC (US) 2009-08-12 EP claimed
EP-0788360-B1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARM INC (US) 2003-05-28 EP claimed
EP-0788360-A4 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT INC (US) 1998-05-06 EP claimed
EP-0788360-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1997-08-13 EP claimed
WO-1996013266-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1996-05-09 WO claimed
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-03-12 US disclosed
US-20130310320-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
US-8378099-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACUETICALS, INC. (US) 2013-02-19 US disclosed
US-20110306560-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-8003791-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-10-01 US disclosed
EP-0788360-B3 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARM INC (US) 2009-08-12 EP disclosed
EP-0788360-B1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARM INC (US) 2003-05-28 EP disclosed
EP-1312609-A1 Boronic ester and acid compounds, synthesis and uses Millennium Pharmaceuticals, Inc. (US) 2003-05-21 EP disclosed
US-6548668-B2 Stabilizer for proteins MILLENNIUM PHARMACEUTICALS, INC. 2003-04-15 US disclosed
US-6465433-B1 SUCH AS N-(2-PYRIDINE)CARBONYL-L-PHENYLALANINE-L-LEUCINE BORONIC ACID; PROTEASOME INHIBITORS; REDUCING RATE OF MUSCLE PROTEIN DEGRADATION MILLENNIUM PHARMACEUTICALS, INC. 2002-10-15 US disclosed
US-6297217-B1 TREATMENT OF CANCER WITH PROTEASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2001-10-02 US disclosed
US-6066730-A Boronic ester and acid compounds, synthesis and uses PROSCRIPT, INC. 2000-05-23 US disclosed
US-5780454-A Boronic ester and acid compounds PROSCRIPT, INC. (US) 1998-07-14 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 (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-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B NPC1 561/4885RAB9A 692/4885MAPT 4135/4885
US-20110306560-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B NPC1 561/4885RAB9A 692/4885MAPT 4135/4885
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B NPC1 561/4885RAB9A 692/4885MAPT 4135/4885
US-20130310320-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B NPC1 561/4885RAB9A 692/4885MAPT 4135/4885

“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.