SCHEMBL2632759

SCHEMBL2632759

CCc1cc(C)nc(Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
MAPT P10636 3/20 0.39
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA1 P30542 1/20 0.32
LMNA P02545 2/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
FFAR1 O14842 1/20 0.32
ESR1 P03372 1/20 0.31

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
SCHEMBL12309955 0.85 NOS3 (0.43) KMT2AMEN1NOS3NOS2MAPT
SCHEMBL10827852 0.83 NOS2 (0.46) KMT2AMEN1NOS3NOS2MAPT
SCHEMBL6455959 0.80 KMT2A (0.45) KMT2AMEN1NOS3NOS2MAPT
SCHEMBL3295101 0.80 KMT2A (0.45) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL13720052 0.79 NOS2 (0.49) KMT2AMEN1NOS3NOS2MAPT
SCHEMBL1762646 0.79 NOS3 (0.39) KMT2AMEN1NOS3NOS2ALDH1A1
Ammonia Solution, Strong SCHEMBL27633883 0.77 NOS3 (0.42) NOS3NOS2MAPTHTTPOLB
SCHEMBL6653833 0.77 NOS3 (0.42) KMT2AMEN1NOS3NOS2MAPT
SCHEMBL390428 0.77
SCHEMBL8987508 0.77 MEN1 (0.42) KMT2AMEN1MAPTALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3870577-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2025-03-19 EP disclosed
US-20230109662-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2023-04-06 US disclosed
US-11541055-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2023-01-03 US disclosed
CN-113195475-A Inhibitors of human immunodeficiency virus replication VIIV保健英国第五有限公司 2021-07-30 CN disclosed
US-20200360384-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2020-11-19 US disclosed
US-9868705-B2 Tetra-aryl cyclobutane inhibitors of androgen receptor action for the treatment of hormone refractory cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-01-16 US disclosed
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-8633193-B2 Pyrrolo-pyridine, pyrrolo-pyrimidine and related heterocyclic compounds NOVARTIS AG (CH) 2014-01-21 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7906528-B2 Such as 5-(2,6-diethyl-phenyl)-1H-pyrrolo[2,3-C]pyridine, which binds C5a receptors with high affinity; for treatment of inflammatory, cardiovascular, and immune system disorders; kits NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-15 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds NEUROGEN CORPORATION (US) 2008-10-30 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-4871387-A Pyri(mi)dyl-oxy-and -thio-benzoic acid derivatives useful as herbicides and plant growth regulants BAYER AKTIENGESELLSCHAFT (DE) 1989-10-03 US disclosed
EP-0226837-A2 Pyri(mi)dyloxy and -thiobenzoic acid derivatives BAYER AG (DE) 1987-07-01 EP 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 (10 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 KMT2A 2718/4885MEN1 703/4885NOS3 2464/4885
US-11541055-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H KMT2A 3450/4885MEN1 4300/4885NOS3 2529/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 KMT2A 3548/4885MEN1 3090/4885NOS3 1054/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 KMT2A 3548/4885MEN1 3090/4885NOS3 1054/4885
US-20230109662-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H KMT2A 3450/4885MEN1 4300/4885NOS3 2529/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 KMT2A 4489/4885MEN1 4175/4885NOS3 1792/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KMT2A 3548/4885MEN1 3090/4885NOS3 1054/4885
US-20200360384-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H KMT2A 3450/4885MEN1 4300/4885NOS3 2529/4885
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives CYP51A1, ERG28, CBR3 KMT2A 2498/4885MEN1 1767/4885NOS3 348/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KMT2A 3548/4885MEN1 3090/4885NOS3 1054/4885

“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.