SCHEMBL3525899

SCHEMBL3525899

Cc1nccn2ccnc12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.45
TNKS O95271 1/20 0.36
PIK3CG P48736 1/20 0.33
DRD1 P21728 1/20 0.33
DYRK1A Q13627 2/20 0.32
LPO P22079 1/20 0.32
ADORA2A P29274 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
SCHEMBL14790242 0.80 L3MBTL1 (0.39) NUDT1L3MBTL1TNKS
SCHEMBL15687846 0.75 L3MBTL1 (0.47) NUDT1L3MBTL1TNKSADORA2A
SCHEMBL21863368 0.75 L3MBTL1 (0.43) NUDT1L3MBTL1TNKS
SCHEMBL15066625 0.73 L3MBTL1 (0.34) NUDT1L3MBTL1
SCHEMBL5408540 0.73 NUDT1 (0.46) NUDT1L3MBTL1
SCHEMBL19520117 0.73 NUDT1 (0.46) NUDT1L3MBTL1TNKS
SCHEMBL19630404 0.72 NUDT1 (0.45) NUDT1L3MBTL1TNKSDYRK1AADORA2A
SCHEMBL12778120 0.72 L3MBTL1 (0.41) NUDT1L3MBTL1TNKS
SCHEMBL19865160 0.72 L3MBTL1 (0.53) NUDT1L3MBTL1TNKSADORA2A
SCHEMBL17974717 0.72 L3MBTL1 (0.40) NUDT1L3MBTL1TNKSPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024092069-A1 CXCR4 INHIBITORS FOR TREATMENT OF NEUROLOGICAL DISEASES X4 PHARMACEUTICALS, INC. (US) 2024-05-02 WO disclosed
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
WO-2023196601-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 WO disclosed
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 US disclosed
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 WO disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
WO-2021263203-A1 CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. (US) 2021-12-30 WO disclosed
EP-3845526-A1 METHOD FOR THE PREPARATION OF TETRAHYDROQUINOLINONE COMPOUNDS HAVING ROR-GAMMA MODULATING ACTIVITY Aurigene Discovery Technologies Limited (IN) 2021-07-07 EP disclosed
US-10988465-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2021-04-27 US disclosed
WO-2021076688-A1 HETEROARYL-BIPHENYL AMINES FOR THE TREATMENT OF PD-L1 DISEASES CHEMOCENTRYX, INC. (US) 2021-04-22 WO disclosed
US-8530652-B2 Pyrrolopyrazoles, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2013-09-10 US disclosed
US-8530652-B2 Pyrrolopyrazoles, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2013-09-10 US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-20120264751-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2012-10-18 US disclosed
US-20120264751-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2012-10-18 US disclosed
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 US disclosed
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 US disclosed
WO-2011036885-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2011-03-31 WO disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 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 (8 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-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC11 NUDT1 3852/4885L3MBTL1 2746/4885TNKS 492/4885
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 NUDT1 1574/4885L3MBTL1 3125/4885TNKS 252/4885
US-20070099925-A1 Novel imidazo based heterocycles CDK4, CDK2, MAP3K19 NUDT1 1635/4885L3MBTL1 4133/4885TNKS 584/4885
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME H1-2, L1CAM, H1-0 NUDT1 1543/4885L3MBTL1 758/4885TNKS 3860/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP NUDT1 4847/4885L3MBTL1 721/4885TNKS 3262/4885
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS NFATC1, AADAT, ACAT1 NUDT1 8/4885L3MBTL1 4008/4885TNKS 1276/4885
US-20120264751-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 NUDT1 2241/4885L3MBTL1 4137/4885TNKS 646/4885
US-10988465-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 NUDT1 1137/4885L3MBTL1 3322/4885TNKS 925/4885

“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.