SCHEMBL1496064

SCHEMBL1496064

CC(C)(C)OC(=O)N1CCCC(Oc2nnc(C(N)=O)c3sc(-c4cccc(F)c4)cc23)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.44
PIK3CD O00329 5/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
CHEK1 O14757 3/20 0.40
KCNH2 Q12809 2/20 0.40
ACKR3 P25106 1/20 0.40
USP30 Q70CQ3 1/20 0.39
PARP1 P09874 1/20 0.38
HPGDS O60760 1/20 0.37
PDE4B Q07343 1/20 0.37
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
APLNR P35414 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 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
SCHEMBL1496074 0.90 ACKR3 (0.39) CHEK2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12100853 0.85 CHEK1 (0.49) PIK3CDCHEK1KCNH2ACKR3USP30
SCHEMBL1496097 0.85 ACKR3 (0.46) CHEK2CHEK1KCNH2ACKR3USP30
SCHEMBL1496120 0.85 CHEK1 (0.49) PIK3CDCHEK1KCNH2ACKR3USP30
SCHEMBL1495944 0.79 CHEK1 (0.63) CHEK1KCNH2
SCHEMBL29924035 0.79 CHEK1 (0.63) CHEK1KCNH2
SCHEMBL12100913 0.78 USP30 (0.47) PIK3CDCHEK1KCNH2ACKR3USP30
SCHEMBL1496132 0.76 ACKR3 (0.44) ACKR3USP30HPGDSAPLNRALOX5AP
SCHEMBL981586 0.74 CHEK1 (0.45) CHEK2CHEK1ACKR3ALOX5APFEN1
SCHEMBL13615327 0.72 ACKR3 (0.41) CHEK2CHEK1ACKR3ALOX5APFEN1

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 CHEK2 1/4885PIK3CD 427/4885PIK3CA 397/4885
US-20120232082-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, BUB1B CHEK2 1/4885PIK3CD 392/4885PIK3CA 377/4885

“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.