SCHEMBL17896136

SCHEMBL17896136

CC(C)(C(=O)O)C1CCCC(C(=O)NCc2nccnc2Cl)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
HPGD P15428 3/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BTK Q06187 2/20 0.33
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL17895970 0.90 KDM4E (0.38) KDM4EHPGDUSP2ALDH1A1SMN1; SMN2
SCHEMBL17893097 0.86 BTK (0.35) KDM4EHPGDALDH1A1SMN1; SMN2BTK
SCHEMBL30626812 0.86 BTK (0.35) KDM4EHPGDALDH1A1SMN1; SMN2BTK
SCHEMBL17893399 0.82 HPGD (0.43) KDM4EHPGDUSP2ALDH1A1BTK
SCHEMBL402325 0.82 HPGD (0.50) KDM4EHPGDUSP2ALDH1A1SMN1; SMN2
SCHEMBL17895129 0.81 KDM4E (0.32) KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL16748916 0.80 HPGD (0.49) KDM4EHPGDUSP2ALDH1A1SMN1; SMN2
SCHEMBL22235969 0.80 HPGD (0.40) KDM4EHPGDUSP2ALDH1A1BTK
SCHEMBL14647352 0.79 HPGD (0.48) KDM4EHPGDUSP2ALDH1A1SMN1; SMN2
SCHEMBL17893265 0.79 HPGD (0.41) KDM4EHPGDUSP2ALDH1A1KMT2A

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-20170362243-A1 BIARYLETHER IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
EP-3240545-A1 BIARYLETHER IMIDAZOPYRAZINE BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP disclosed
WO-2016109219-A1 BIARYLETHER IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 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-20170362243-A1 BIARYLETHER IMIDAZOPYRAZINE BTK INHIBITORS BTK, ABL1, SYK KDM4E 816/4885HPGD 3884/4885USP2 3052/4885

“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.