SCHEMBL304517

SCHEMBL304517

CCNc1cccc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.48
CACNA1C Q13936 1/20 0.48
SCN5A Q14524 1/20 0.48
MAPK8 P45983 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
CHRNB2 P17787 3/20 0.42
CHRNB4 P30926 3/20 0.42
CHRNA3 P32297 3/20 0.42
CHRNA4 P43681 3/20 0.42
LCK P06239 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SCN9A Q15858 2/20 0.40
CNR1 P21554 1/20 0.40
CYP17A1 P05093 1/20 0.40
BCHE P06276 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL29394473 0.91 LCK (0.47) SMN1; SMN2LCKNPC1RAB9AMEN1
SCHEMBL14622117 0.84 LCK (0.43) KCNH2SCN5ASMN1; SMN2LCKNPC1
SCHEMBL4076010 0.84 CHRNB2 (0.51) MAPK8CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3204707 0.83 CHRNB2 (0.47) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13488657 0.82 CYP2C19 (0.44) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL31151002 0.81 RAB9A (0.62) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL29510654 0.81 ALDH1A1 (0.51) SMN1; SMN2LCKMEN1GAAKMT2A
SCHEMBL533505 0.81 RAB9A (0.62) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL22523913 0.81 LCK (0.43) LCKNPC1RAB9ASCN9ACYP17A1
SCHEMBL1712579 0.81 ALDH1A1 (0.51) SMN1; SMN2LCKMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2019-02-19 US disclosed
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2019-02-19 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
EP-1619184-A2 Urea compounds as kinase inhibitors Amgen, Inc. (US) 2006-01-25 EP disclosed
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP disclosed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US disclosed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US disclosed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US disclosed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO disclosed
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US disclosed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 US disclosed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 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 (9 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-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 KCNH2 4637/4885CACNA1C 4295/4885SCN5A 3519/4885
US-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX KCNH2 4400/4885CACNA1C 4610/4885SCN5A 4241/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX KCNH2 4533/4885CACNA1C 4738/4885SCN5A 3828/4885
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 KCNH2 4637/4885CACNA1C 4295/4885SCN5A 3519/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 KCNH2 4637/4885CACNA1C 4295/4885SCN5A 3519/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX KCNH2 4400/4885CACNA1C 4610/4885SCN5A 4241/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KCNH2 3776/4885CACNA1C 3691/4885SCN5A 2731/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 KCNH2 4637/4885CACNA1C 4295/4885SCN5A 3519/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX KCNH2 4400/4885CACNA1C 4610/4885SCN5A 4241/4885

“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.