SCHEMBL4447138

SCHEMBL4447138

Cc1ccc(N)c(-c2ccccc2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
BRD4 O60885 1/20 0.41
TDO2 P48775 1/20 0.41
AKT2 P31751 1/20 0.41
MAPT P10636 2/20 0.40
CYP3A4 P08684 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HTT P42858 2/20 0.39
ADORA2A P29274 2/20 0.39
ADRA2A P08913 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PIK3CA P42336 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL28602211 0.86 CYP3A4 (0.46) KMT2ABRD4TDO2AKT2MAPT
SCHEMBL8321808 0.86 KMT2A (0.44) KMT2ABRD4TDO2AKT2MAPT
SCHEMBL10493873 0.83 HSD17B10 (0.43) KMT2ABRD4TDO2AKT2MAPT
SCHEMBL28802185 0.83 CYP3A4 (0.44) KMT2ABRD4TDO2AKT2MAPT
SCHEMBL14172985 0.81 L3MBTL1 (0.50) KMT2AMAPTHTTADORA2ATSHR
SCHEMBL3215787 0.81 TDP2 (0.44) MAPTCYP3A4TDP1TSHRALDH1A1
SCHEMBL30238157 0.81 TDP2 (0.44) MAPTCYP3A4TDP1TSHRALDH1A1
SCHEMBL31607642 0.80 MAP4K4 (0.47) BRD4CYP3A4TDP1TSHRALDH1A1
SCHEMBL3794847 0.80 CYP3A4 (0.46) KMT2ABRD4TDO2AKT2MAPT
SCHEMBL27739272 0.79 KMT2A (0.47) KMT2ABRD4TDO2AKT2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2005504157-A 2005-02-10 JP claimed
EP-1440101-A1 POLYURETHANE, METHOD FOR PRODUCTION AND USE THEREOF BASF Coatings AG (DE) 2004-07-28 EP claimed
EP-1311628-A2 PSEUDOPLASTIC POWDERED LACQUER SLURRY FREE OF ORGANIC SOLVENTS AND EXTERNAL EMULSIFIERS, METHOD FOR PRODUCTION AND USE THEREOF BASF Coatings AG (DE) 2003-05-21 EP claimed
EP-1311580-A1 SINGLE COMPONENT SYSTEM SETTING BY THERMAL MEANS OR BY ACTINIC IRRADIATION AND USE THEREOF BASF Coatings Aktiengesellschaft (DE) 2003-05-21 EP claimed
WO-2003029319-A1 POLYURETHANE, METHOD FOR PRODUCTION AND USE THEREOF BASF COATINGS AG (DE) 2003-04-10 WO claimed
WO-2003022937-A1 POLYSILOXANE SOLS WHICH CAN BE THERMALLY CURED AND CURED BY ACTINIC RADIATION, METHOD FOR THE PRODUCTION AND USE THEREOF BASF COATINGS AG (DE) 2003-03-20 WO claimed
WO-2002016462-A1 SINGLE COMPONENT SYSTEM SETTING BY THERMAL MEANS OR BY ACTINIC IRRADIATION AND USE THEREOF BASF COATINGS AG (DE) 2002-02-28 WO claimed
WO-2002014440-A2 PSEUDOPLASTIC POWDERED LACQUER SLURRY FREE OF ORGANIC SOLVENTS AND EXTERNAL EMULSIFIERS, METHOD FOR PRODUCTION AND USE THEREOF BASF COATINGS AG (DE) 2002-02-21 WO claimed
WO-2022039927-A1 ONE-COMPONENT WATERBORNE POLYURETHANE SELF-HEALING COATINGS USING HYDROPHOBIC BLOCKED POLYISOCYANATES COVESTRO LLC (US) 2022-02-24 WO disclosed
US-7662977-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
US-7662977-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
WO-2009108704-A1 O-ALKYLATED PI-3 KINASE INHIBITOR PRODRUG COMBINATION SEMAFORE PHARMACEUTICALS, INC. (US) 2009-09-03 WO disclosed
EP-2029657-A2 POWDER COATING MATERIALS WITH HIGH-FUNCTIONALITY, HIGHLY BRANCHED OR HYPERBRANCHED POLYCARBONATES BASF Coatings AG (DE) 2009-03-04 EP disclosed
US-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS SIGNALRX PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2000067919-A1 HIGHLY SCRATCH-RESISTANT MULTI-LAYER PAINT COATING, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF BASF COATINGS AG (DE) 2000-11-16 WO disclosed
WO-2000053651-A1 POLYURETHANE AND ITS USE FOR PRODUCING SOLVENT-FREE COATING SUBSTANCES BASF COATINGS AG (DE) 2000-09-14 WO disclosed
WO-2000032670-A1 COATING AGENT AND METHOD FOR ITS PRODUCTION BASF COATING AG (DE) 2000-06-08 WO disclosed
EP-0181478-A2 Curable resin compositions and their use Takeda Chemical Industries, Ltd. (JP) 1986-05-21 EP disclosed
EP-0162313-A2 Process for the production of rubberreinforcing polyester cord Toyo Boseki Kabushiki Kaisha (JP) 1985-11-27 EP disclosed
EP-0000016-B1 PROCESS FOR THE PREPARATION OF ALLOPHANATES-SUBSTITUTED POLYISOCYANATES AND THEIR USE IN THE MANUFACTURE OF POLYURETHANE PRODUCTS BAYER AG (DE) 1980-07-23 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 (1 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-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS PI4KA, PI4KB, PI4K2B KMT2A 770/4885BRD4 1160/4885TDO2 1802/4885

“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.