SCHEMBL18137292

SCHEMBL18137292

CC(C)(C)OC(=O)NCc1cc(-c2ccccc2)c(N)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 2/20 0.43
▸ SKP1 P63208 2/20 0.43
▸ SKP2 Q13309 2/20 0.43
▸ KDM4A O75164 1/20 0.43
▸ HDAC1 Q13547 2/20 0.42
▸ GRM2 Q14416 1/20 0.42
▸ ACACB O00763 3/20 0.41
▸ ACACA Q13085 2/20 0.41
▸ ATR Q13535 1/20 0.40
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL18137290 0.82 CKS1B (0.41) CKS1BSKP1SKP2KDM4AHDAC1
SCHEMBL31540432 0.79 HDAC1 (0.48) CKS1BSKP1SKP2KDM4AHDAC1
SCHEMBL3633138 0.78 KDM4A (0.54) CKS1BSKP1SKP2KDM4AHDAC1
SCHEMBL28129296 0.78 GRM2 (0.52) KDM4AHDAC1GRM2ACACBACACA
SCHEMBL18945090 0.77 GRM2 (0.41) KDM4AHDAC1GRM2ATRALOX5AP
SCHEMBL17133442 0.77 CKS1B (0.51) CKS1BSKP1SKP2KDM4AHDAC1
SCHEMBL17133422 0.77 CKS1B (0.51) CKS1BSKP1SKP2KDM4AATR
SCHEMBL23706123 0.76 ACACB (0.47) CKS1BSKP1SKP2KDM4AHDAC1
SCHEMBL31716659 0.76 MAP4K4 (0.44) CKS1BSKP1SKP2KDM4AHDAC1
SCHEMBL30041525 0.76 DYRK1A (0.56) CKS1BSKP1SKP2KDM4AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2020-02-11 — — US disclosed
US-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2018-04-19 — — US disclosed
WO-2016161572-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2016-10-13 — — 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-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NTRK2, NGF CKS1B 275/4885SKP1 931/4885SKP2 326/4885
US-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof NGFR, NTRK2, NGF CKS1B 275/4885SKP1 931/4885SKP2 326/4885

“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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