SCHEMBL163711

SCHEMBL163711

CNC(=O)c1cc([O])ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.48
HPGD P15428 2/20 0.44
BRAF P15056 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
RAF1 P04049 2/20 0.43
EPHX2 P34913 1/20 0.43
PARP1 P09874 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
APEX1 P27695 1/20 0.43
CYP2C19 P33261 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
SCHEMBL2642554 0.82 KDR (0.47) KDRHPGDBRAFNPC1RAB9A
SCHEMBL3257638 0.82 KDR (0.47) KDRHPGDBRAFNPC1RAB9A
SCHEMBL29580736 0.82 CTSA (0.48) KDRBRAFNPC1RAB9ARAF1
SCHEMBL171083 0.82 CTSA (0.48) KDRBRAFNPC1RAB9ARAF1
SCHEMBL30201887 0.82 KDR (0.47) KDRHPGDBRAFNPC1RAB9A
SCHEMBL163357 0.82 ANO1 (0.51)
SCHEMBL161556 0.82 KDM4C (0.51) HPGDNPC1RAB9ARAF1PARP1
SCHEMBL162424 0.82 PARP1 (0.45) BRAFNPC1RAB9ARAF1PARP1
SCHEMBL2644050 0.81 KDR (0.46) KDRHPGDBRAFNPC1RAB9A
SCHEMBL14566951 0.81 KDR (0.48) KDRHPGDBRAFNPC1RAB9A

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
CN-112794821-B Decarboxylation C (sp3) -N cross-coupling reaction of diacyl peroxide and nitrogen-containing nucleophilic reagent mediated by free radical 南昌航空大学 2022-05-24 CN claimed
CN-112679435-B Alkylation/acylation method adopting photo-oxidation reduction/copper co-catalysis 南昌航空大学 2022-04-15 CN claimed
CN-112794821-A Free radical mediated decarboxylation C (sp) of diacyl peroxide and nitrogen-containing nucleophile3) -N cross-coupling reaction 南昌航空大学 2021-05-14 CN claimed
CN-112679435-A Alkylation/acylation method adopting photo-oxidation reduction/copper co-catalysis 南昌航空大学 2021-04-20 CN claimed
CN-112794821-B Decarboxylation C (sp3) -N cross-coupling reaction of diacyl peroxide and nitrogen-containing nucleophilic reagent mediated by free radical 南昌航空大学 2022-05-24 CN disclosed
CN-112679435-B Alkylation/acylation method adopting photo-oxidation reduction/copper co-catalysis 南昌航空大学 2022-04-15 CN disclosed
CN-112794821-A Free radical mediated decarboxylation C (sp) of diacyl peroxide and nitrogen-containing nucleophile3) -N cross-coupling reaction 南昌航空大学 2021-05-14 CN disclosed
CN-112679435-A Alkylation/acylation method adopting photo-oxidation reduction/copper co-catalysis 南昌航空大学 2021-04-20 CN disclosed
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
CN-105669564-A Urea compound and preparation method, medicine composition, intermediate and application thereof 上海医药工业研究院 2016-06-15 CN disclosed
CN-102958921-B Urea compound, preparation method thereof, intermediate thereof and application thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2016-03-23 CN disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO disclosed
US-7612200-B2 Inhibitors of protein kinases LOCUS PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090192307-A1 INHIBITORS OF PROTEIN KINASES LOCUS PHARMACEUTICALS, INC. 2009-07-30 US disclosed
EP-1973408-A2 INHIBITORS OF PROTEIN KINASES Locus Pharmaceuticals, Inc. (US) 2008-10-01 EP disclosed
EP-1824843-A2 INHIBITORS OF PROTEIN KINASES Locus Pharmaceuticals, Inc. (US) 2007-08-29 EP disclosed
US-20070185098-A1 Inhibitors of protein kinases LOCUS PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
WO-2007081690-A2 INHIBITORS OF PROTEIN KINASES LOCUS PHARMACEUTICALS, INC. (US) 2007-07-19 WO disclosed
WO-2006062984-A2 INHIBITORS OF PROTEIN KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 WO 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 (2 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-20090192307-A1 INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K19 KDR 960/4885HPGD 2153/4885BRAF 163/4885
US-20070185098-A1 Inhibitors of protein kinases MAP3K20, MAP3K1, MAP3K19 KDR 960/4885HPGD 2153/4885BRAF 163/4885

“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.