SCHEMBL1496097

SCHEMBL1496097

CC(C)(C)OC(=O)N1CCCC(Cc2nnc(C(N)=O)c3sc(-c4cccc(F)c4)cc23)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.46
ALOX5AP P20292 3/20 0.41
FEN1 P39748 3/20 0.41
IRAK1 P51617 1/20 0.41
KAT7 O95251 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
CHEK2 O96017 1/20 0.39
KAT6A Q92794 1/20 0.39
KAT5 Q92993 1/20 0.39
GLS O94925 2/20 0.38
USP30 Q70CQ3 1/20 0.38
CHEK1 O14757 3/20 0.37
KCNH2 Q12809 1/20 0.37
APLNR P35414 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
BCHE P06276 1/20 0.36
HTR6 P50406 1/20 0.36
HPGDS O60760 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL1496132 0.91 ACKR3 (0.44) ACKR3ALOX5APFEN1IRAK1KAT7
SCHEMBL981586 0.89 CHEK1 (0.45) ACKR3ALOX5APFEN1IRAK1CHEK2
SCHEMBL13615327 0.88 ACKR3 (0.41) ACKR3ALOX5APFEN1IRAK1CHEK2
SCHEMBL1496064 0.85 CHEK2 (0.44) ACKR3ALOX5APFEN1CHEK2USP30
SCHEMBL981337 0.85 CHEK1 (0.44) ACKR3ALOX5APFEN1CHEK2CHEK1
SCHEMBL12100853 0.84 CHEK1 (0.49) ACKR3USP30CHEK1KCNH2
SCHEMBL1496120 0.84 CHEK1 (0.49) ACKR3USP30CHEK1KCNH2
SCHEMBL16560410 0.83 CHEK1 (0.45) CHEK2CHEK1KCNH2
SCHEMBL4342898 0.80 ACKR3 (0.42) ACKR3ALOX5APFEN1IRAK1CHEK2
SCHEMBL982318 0.80 CHEK1 (0.46) CHEK2CHEK1FNTAFNTBGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487539-B2 Compounds and therapeutic use thereof for protein kinase inhibition SHANGHAI HUAYU BIOTECH CO., LTD (CN) 2016-11-08 US disclosed
EP-2826780-B1 Thieno[2,3-d]pyridazine derivatives and therapeutic use thereof for protein kinase inhibition WU ZHANGGUI (US) 2016-06-01 EP disclosed
US-20150072987-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION SHANGHAI HUAYU BIOTECH CO., LTD (CN) 2015-03-12 US disclosed
EP-2826780-A1 Thieno[2,3-d]pyridazine derivatives and therapeutic use thereof for protein kinase inhibition Wu, Zhanggui (US) 2015-01-21 EP disclosed
US-8815863-B2 Compounds and therapeutic use thereof for protein kinase inhibition SHANGHAI HUAYU BIOTECH CO., LTD. (CN) 2014-08-26 US disclosed
EP-2477496-B1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION WU ZHANGGUI (US) 2014-04-16 EP disclosed
US-20120232082-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION SHANGHAI HUAYU BIOTECH CO., LTD. (CN) 2012-09-13 US disclosed
EP-2477496-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION Wu, Zhanggui (US) 2012-07-25 EP disclosed
WO-2011035077-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION WU ZHANGGUI (US) 2011-03-24 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-20150072987-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, PLK1 ACKR3 3473/4885ALOX5AP 4252/4885FEN1 655/4885
US-20120232082-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, BUB1B ACKR3 3621/4885ALOX5AP 4275/4885FEN1 771/4885

“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.