SCHEMBL4255759

SCHEMBL4255759

O=C(O)c1cnc(NCc2ccccc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.56
CDK2 P24941 3/20 0.51
CCNE1 P24864 2/20 0.51
CDK5 Q00535 2/20 0.51
VNN1 O95497 1/20 0.48
KDM4E B2RXH2 3/20 0.47
ASPH Q12797 2/20 0.47
KDM8 Q8N371 2/20 0.47
RIOX2 Q8IUF8 1/20 0.47
ATM Q13315 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL7828381 0.88 CCNE1 (0.67) SCDCDK2CCNE1CDK5VNN1
SCHEMBL7826766 0.84 CDK2 (0.46) SCDCDK2CCNE1CDK5VNN1
SCHEMBL8277838 0.83 TP53 (0.54) SCDCDK2CDK5VNN1KDM4E
SCHEMBL28062184 0.82 JAK3 (0.47) SCDCDK2CCNE1CDK5KDM4E
SCHEMBL31482211 0.81 VNN1 (0.53) SCDVNN1KDM4ENPC1RAB9A
SCHEMBL31482264 0.81 HDAC3 (0.50) SCDKDM4ENPC1RAB9AHDAC1
SCHEMBL9296134 0.78 SCD (0.43) SCDHDAC1
SCHEMBL16113553 0.77 HCAR2 (0.52) SCDCDK2CCNE1CDK5KDM4E
SCHEMBL2369978 0.76 SMN1; SMN2 (0.57) SCDCDK2CCNE1CDK5NPC1
SCHEMBL4252563 0.76 MAPK14 (0.74) KDM4ENPC1RAB9AMAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US claimed
EP-1841431-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-10-10 EP claimed
WO-2006081172-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-08-03 WO claimed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
EP-3305900-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2021-07-21 EP disclosed
US-20200216836-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2020-07-09 US disclosed
US-10287576-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2019-05-14 US disclosed
EP-3305900-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES Nuevolution A/S (DK) 2018-04-11 EP disclosed
US-20170247688-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2017-08-31 US disclosed
US-20170247688-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2017-08-31 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
EP-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 EP disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US disclosed
WO-2006064286-A1 CATHEPSIN S INHIBITORS MEDIVIR UK LTD (GB) 2006-06-22 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-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ABL1, BCR, PDGFRB SCD 3473/4885CDK2 117/4885CCNE1 1483/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 SCD 2196/4885CDK2 62/4885CCNE1 1803/4885

“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.