SCHEMBL807733

SCHEMBL807733

Cc1cc(C(C)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
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.38
ESR1 P03372 1/20 0.35
POLB P06746 4/20 0.34
MAPT P10636 2/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
NFKB1 P19838 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL27030010 0.80 KMT2A (0.45) KMT2AMEN1ALDH1A1L3MBTL1HTT
SCHEMBL1706547 0.79 NOS3 (0.39) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL30670430 0.78 KMT2A (0.40) KMT2AMEN1ALDH1A1L3MBTL1HTT
SCHEMBL27029756 0.78 KMT2A (0.40) KMT2AMEN1ALDH1A1L3MBTL1HTT
SCHEMBL15980604 0.77 NOS3 (0.42) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL390428 0.77
SCHEMBL799308 0.76 NOS3 (0.45) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL1706050 0.76 NOS2 (0.55) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL10167712 0.74 NOS3 (0.43) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL31493081 0.74 KMT2A (0.40) KMT2AMEN1ALDH1A1L3MBTL1HTT

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 20 patents. 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-20240270737-A1 SMALL MOLECULAR INHIBITORS OF STING SIGNALING COMPOSITIONS AND METHODS OF USE STINGINN INC. (US) 2024-08-15 US 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
WO-2020243519-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-03 WO 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-20160229811-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER DUKE UNIVERSITY 2016-08-11 US disclosed
US-9309240-B2 Pyrazolopyridine compounds, compositions and methods of use GENENTECH, INC. (US) 2016-04-12 US disclosed
US-20140206702-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-07-24 US disclosed
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-09-26 US disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-4627871-A Herbicidal 2-[4-substituted carboxyamino-phenoxy (or phenyl mercapto)]-substituted pyrimidines BAYER AKTIENGESELLSCHAFT (DE) 1986-12-09 US disclosed
EP-0168608-A2 Substituted carboxylic-acid anilides BAYER AG (DE) 1986-01-22 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 (11 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 KMT2A 2005/4885MEN1 4055/4885NOS3 3046/4885
US-20140206702-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX6, P2RY6, CYP2D6 KMT2A 3958/4885MEN1 2558/4885NOS3 3177/4885
US-20160229811-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER AR, FSHR, ESRRB KMT2A 1846/4885MEN1 2963/4885NOS3 4759/4885
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX5, P2RX4, P2RY1 KMT2A 4176/4885MEN1 2362/4885NOS3 3323/4885
US-20240270737-A1 SMALL MOLECULAR INHIBITORS OF STING SIGNALING COMPOSITIONS AND METHODS OF USE STING1, IRF3, MAVS KMT2A 3817/4885MEN1 4356/4885NOS3 1055/4885
US-11541055-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H KMT2A 3450/4885MEN1 4300/4885NOS3 2529/4885
US-20230109662-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H KMT2A 3450/4885MEN1 4300/4885NOS3 2529/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KMT2A 939/4885MEN1 1312/4885NOS3 900/4885
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R KMT2A 2299/4885MEN1 1285/4885NOS3 3275/4885
US-20200360384-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H KMT2A 3450/4885MEN1 4300/4885NOS3 2529/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R KMT2A 2299/4885MEN1 1285/4885NOS3 3275/4885

“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.