SCHEMBL16123392

SCHEMBL16123392

CC(C)(C)OC(=O)Nc1nc(CN=[N+]=[N-])cs1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 1/20 0.45
▸ PI4KB Q9UBF8 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ LCK P06239 4/20 0.38
▸ CCR2 P41597 2/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37

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
SCHEMBL1030124 0.80 PI4KB (0.50) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL16095853 0.80 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AALDH1A1HPGDLMNA
SCHEMBL2175797 0.80 SMN1; SMN2 (0.50) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL16123390 0.79 SIRT1 (0.52) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL9071272 0.79 SIRT1 (0.49) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL13033265 0.79 SIRT1 (0.49) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL356279 0.79 SMN1; SMN2 (0.64) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL6679893 0.79 SIRT1 (0.49) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL12824139 0.79 SIRT1 (0.47) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL21228025 0.78 SIRT1 (0.48) SIRT1PI4KBSMN1; SMN2KMT2ATSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110746424-A MK2 inhibitors and uses thereof 西建卡尔有限责任公司 2020-02-04 — — CN disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 — — US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 — — US disclosed
CN-105163738-A MK2 inhibitors and uses thereof CELGENE AVILOMICS RES INC 2015-12-16 — — CN disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 — — 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 (1 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-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 SIRT1 1030/4885PI4KB 467/4885SMN1; SMN2 4098/4885

“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.

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