SCHEMBL17133422

SCHEMBL17133422

CC(C)(C)OC(=O)NCc1cnc(N)c(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 3/20 0.51
▸ SKP1 P63208 3/20 0.51
▸ SKP2 Q13309 3/20 0.51
▸ ATR Q13535 2/20 0.47
▸ MAPKAPK2 P49137 6/20 0.45
▸ MAPK1 P28482 6/20 0.43
▸ KDM4A O75164 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
SCHEMBL17111652 0.82 MAPK1 (0.46) ATRMAPKAPK2MAPK1
SCHEMBL17133442 0.79 CKS1B (0.51) CKS1BSKP1SKP2ATRMAPKAPK2
SCHEMBL18137292 0.77 CKS1B (0.43) CKS1BSKP1SKP2ATRKDM4A
SCHEMBL31540432 0.77 HDAC1 (0.48) CKS1BSKP1SKP2KDM4A
SCHEMBL25551904 0.74 CKS1B (0.51) CKS1BSKP1SKP2KDM4A
SCHEMBL26616783 0.74 TRPV3 (0.48) CKS1BSKP1SKP2KDM4A
SCHEMBL31431219 0.73 PDPK1 (0.43) MAPKAPK2KDM4A
SCHEMBL25551937 0.73 CKS1B (0.49) CKS1BSKP1SKP2KDM4A
SCHEMBL30036979 0.73 CKS1B (0.49) CKS1BSKP1SKP2KDM4A
SCHEMBL3633138 0.73 KDM4A (0.54) CKS1BSKP1SKP2MAPK1KDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122346-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2020-07-15 — — EP disclosed
US-9815846-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-11-14 — — US disclosed
US-9815846-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-11-14 — — US disclosed
US-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2017-04-27 — — US disclosed
US-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2017-04-27 — — US disclosed
WO-2015148344-A2 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — 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-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NGF, NTRK1 CKS1B 260/4885SKP1 602/4885SKP2 297/4885

“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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