SCHEMBL8422261

SCHEMBL8422261

CCN(C)C(=O)c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.58
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.49
MMP13 P45452 1/20 0.48
MLYCD O95822 2/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
HDAC4 P56524 1/20 0.46
NAPRT Q6XQN6 1/20 0.45
KDM5A P29375 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MPO P05164 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL14518464 0.85 HDAC4 (0.51) NAMPTKMT2AMLYCDLMNAHDAC4
SCHEMBL5710878 0.82 HPGD (0.56) KDM4EKMT2AMLYCDLMNANAPRT
SCHEMBL23304109 0.81 KDM4E (0.54) NAMPTKDM4EKMT2APOLBMMP13
SCHEMBL7606752 0.80 KDM4E (0.49) NAMPTKDM4EKMT2AMLYCDLMNA
SCHEMBL10128312 0.79 KDM4E (0.49) NAMPTKDM4EKMT2APOLBMMP13
SCHEMBL18735505 0.79 KDM4E (0.49) NAMPTKDM4EKMT2APOLBMMP13
SCHEMBL1003249 0.79 ALDH1A1 (0.58) KMT2AALDH1A1
SCHEMBL353139 0.79 KDM4E (0.60) KDM4EKMT2AMLYCDLMNAHTT
Water SCHEMBL27826394 0.78 NAMPT (0.47) NAMPTKMT2AMMP13MLYCDLMNA
SCHEMBL27854800 0.78 KDM4E (0.47) NAMPTKDM4EKMT2AMLYCDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110678466-B Diazanaphthalenes as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
US-9849107-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
US-20170354636-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE SEQUOIA PHARMACEUTICALS INC (US) 2017-12-14 US disclosed
US-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-04-13 US disclosed
US-20170081346-A1 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-03-23 US disclosed
US-20160361287-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. 2016-12-15 US disclosed
US-9233952-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2016-01-12 US disclosed
WO-2015195179-A2 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS. THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-23 WO disclosed
WO-2015161037-A1 VERY LOW DENSITY METAL ORGANIC FRAMEWORKS WITH LARGE PORE VOLUMES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-22 WO disclosed
WO-2015157239-A1 FUNCTIONALIZED AND MULTIVARIATE BTB-BASED METAL ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-15 WO disclosed
US-8673970-B2 HIV protease inhibitor and cytochrome p450 inhibitor combinations SEQUOIA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-20140024671-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS INC (US) 2014-01-23 US disclosed
US-8481520-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-8048871-B2 Inhibitors that when coadministered with a drug that undergoes in vivo degradation by cytochrome P450 enzyme, improves the pharmacokinetics, bioavailability and disease treatment such as of HIV, Hepatitis C virus, diabetes, epilepsy, cancer, depression; amide or sulfonamide-functional benzofurans SEQUOIA PHARMACEUTICALS, INC. (US) 2011-11-01 US disclosed
US-7772239-B2 Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2010-08-10 US disclosed
US-20080113945-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2008-05-15 US disclosed
US-20080070923-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-03-20 US disclosed
US-7317022-B2 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists THERAVANCE, INC. (US) 2008-01-08 US disclosed
WO-2007039218-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2007-04-12 WO disclosed
US-20060276482-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists THERAVANCE, INC. 2006-12-07 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-20080113945-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 NAMPT 1259/4885KDM4E 2502/4885KMT2A 3386/4885
US-20060276482-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists HTR4, HTR5A, HTR1A NAMPT 1641/4885KDM4E 1082/4885KMT2A 2365/4885
US-20170081346-A1 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS MCM2, YTHDF2, MCM6 NAMPT 977/4885KDM4E 1665/4885KMT2A 551/4885
US-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS EPCAM, SOD1, SBDS NAMPT 2946/4885KDM4E 3868/4885KMT2A 2617/4885
US-20160361287-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 NAMPT 1259/4885KDM4E 2502/4885KMT2A 3386/4885
US-20170354636-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE HCCS, CYP2E1, CYP7A1 NAMPT 985/4885KDM4E 1695/4885KMT2A 2347/4885
US-20080070923-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A NAMPT 1685/4885KDM4E 1073/4885KMT2A 2371/4885
US-20140024671-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 NAMPT 1259/4885KDM4E 2502/4885KMT2A 3386/4885

“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.