SCHEMBL443517

SCHEMBL443517

[c]1nc(-c2ccncc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
IDO1 P14902 1/20 0.38
KDM4E B2RXH2 7/20 0.37
AR P10275 4/20 0.37
KMT2A Q03164 1/20 0.37
NOTUM Q6P988 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
KIF11 P52732 1/20 0.37
CYP19A1 P11511 1/20 0.36
RAB9A P51151 6/20 0.35
NPC1 O15118 4/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL70645 0.82 ALDH1A1 (0.42) LMNAMAPTKDM4EARKMT2A
SCHEMBL468050 0.79 KIF11 (0.50) KDM4EKMT2AKIF11
SCHEMBL17626009 0.78 ALDH1A1 (0.40) MAPTKDM4EKMT2ACYP1A2CYP3A4
SCHEMBL500232 0.78 RAB9A (0.46) LMNAMAPTKDM4EARKMT2A
SCHEMBL468044 0.78 RAB9A (0.41) LMNAMAPTKDM4EKMT2ANOTUM
SCHEMBL10515566 0.78 LTA4H (0.46) LMNAMAPTKDM4EARKMT2A
SCHEMBL1916309 0.78 KMT2A (0.47) LMNAMAPTKDM4EKMT2ANOTUM
SCHEMBL5540279 0.78 RAB9A (0.47) LMNAMAPTKDM4EARKMT2A
SCHEMBL1387640 0.78 CYP19A1 (0.50) LMNAMAPTKDM4ECYP1A2CYP3A4
SCHEMBL17625930 0.78 ATM (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912590-B (+/-) -Marinopyrole A derivative and preparation method and application thereof 四川大学 2022-11-29 CN claimed
CN-113912590-A (+/-) -Marinopyrole A derivative and preparation method and application thereof 四川大学 2022-01-11 CN claimed
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US claimed
WO-2011049274-A1 IMIDAZOLE DERIVATIVES AND COMPOSITIONS FOR TREATING MELANOMA KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-04-28 WO claimed
CN-102015699-A Heterocyclic urea derivatives and methods of use thereof-211 ASTRAZENECA AB 2011-04-13 CN claimed
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP claimed
EP-2262801-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 AstraZeneca AB (SE) 2010-12-22 EP claimed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US claimed
CN-1713907-B N-substituted pyrrolidine derivatives as dipeptidyl peptidase IV inhibitors HOFFMANN LA ROCHE 2010-05-26 CN claimed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 WO claimed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US claimed
CN-1829721-A Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor ASTRAZENECA AB (SE) 2006-09-06 CN claimed
CN-1713907-A N-substituted pyrrolidine derivatives as dipeptidyl peptidase IV inhibitors HOFFMANN LA ROCHE (CH) 2005-12-28 CN claimed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US claimed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP claimed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US claimed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO claimed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 US disclosed
WO-2001049288-A9 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2001-10-25 WO disclosed
WO-2001049288-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-07-12 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 (5 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-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 LMNA 2103/4885MAPT 4782/4885IDO1 541/4885
US-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 LMNA 4657/4885MAPT 3608/4885IDO1 1525/4885
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 LMNA 2441/4885MAPT 2015/4885IDO1 1081/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 LMNA 4737/4885MAPT 4020/4885IDO1 623/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 LMNA 4657/4885MAPT 3608/4885IDO1 1525/4885

“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.