SCHEMBL1496074

SCHEMBL1496074

CCOC(=O)c1nnc(OC2CCCN(C(=O)OC(C)(C)C)C2)c2cc(-c3cccc(F)c3)sc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.39
CHEK2 O96017 1/20 0.38
PIK3CD O00329 13/20 0.38
PIK3CA P42336 4/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
USP30 Q70CQ3 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
KAT7 O95251 1/20 0.36
KAT8 Q9H7Z6 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
SCHEMBL1496064 0.90 CHEK2 (0.44) ACKR3CHEK2PIK3CDPIK3CAPIK3CB
SCHEMBL1496132 0.86 ACKR3 (0.44) ACKR3USP30GPR119KAT7KAT8
SCHEMBL1496097 0.77 ACKR3 (0.46) ACKR3CHEK2USP30GPR119KAT7
SCHEMBL12100853 0.76 CHEK1 (0.49) ACKR3PIK3CDUSP30
SCHEMBL1496120 0.76 CHEK1 (0.49) ACKR3PIK3CDUSP30
SCHEMBL4342898 0.75 ACKR3 (0.42) ACKR3CHEK2
SCHEMBL12100913 0.75 USP30 (0.47) ACKR3PIK3CDUSP30
SCHEMBL4355506 0.74 ACKR3 (0.40) ACKR3CHEK2PIK3CDKAT7KAT8
SCHEMBL16560411 0.73 TRPM8 (0.42)
SCHEMBL1496111 0.72 TRPM8 (0.48)

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 3473/4885CHEK2 1/4885PIK3CD 427/4885
US-20120232082-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, BUB1B ACKR3 3621/4885CHEK2 1/4885PIK3CD 392/4885

“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.