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SCHEMBL4355506

SCHEMBL4355506

CCOC(=O)c1nnc(CC2CCCN(C(=O)OC(C)(C)C)C2)c2cc(-c3cc(Cl)cc(Cl)c3)sc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.40
▸ GLS O94925 2/20 0.39
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ FEN1 P39748 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RECQL P46063 1/20 0.35

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
SCHEMBL4342898 0.94 ACKR3 (0.42) ACKR3GLSFNTAFNTBTP53
SCHEMBL13615327 0.90 ACKR3 (0.41) ACKR3GLSFNTAFNTBCNR1
SCHEMBL13615283 0.89 ALDH1A1 (0.43) ACKR3FNTAFNTBTP53POLB
SCHEMBL1496132 0.88 ACKR3 (0.44) ACKR3GLSFNTAFNTBTP53
SCHEMBL12948514 0.85 ALDH1A1 (0.46) FNTAFNTBTP53POLBALDH1A1
SCHEMBL12922028 0.84 MAPT (0.35) ALDH1A1LMNAGAANPSR1KDM4E
SCHEMBL981586 0.84 CHEK1 (0.45) ACKR3GLSFNTAFNTBCNR1
SCHEMBL981337 0.79 CHEK1 (0.44) ACKR3FNTAFNTBCNR1CNR2
SCHEMBL1496097 0.78 ACKR3 (0.46) ACKR3GLSFNTAFNTBFEN1
SCHEMBL12922038 0.78 CHEK1 (0.43) GAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249154-B2 Compounds and therapeutic use thereof for protein kinase inhibition WU ZHANGGUI (US) 2016-02-02 — — US disclosed
US-20130143887-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION WU ZHANGGUI (US) 2013-06-06 — — US disclosed
US-8318740-B2 Compounds for protein kinase inhibition WU ZHANGGUI (US) 2012-11-27 — — US disclosed
US-8318740-B2 Compounds for protein kinase inhibition WU ZHANGGUI (US) 2012-11-27 — — US disclosed
US-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition WU ZHANGGUI 2009-11-05 — — US disclosed
US-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition WU ZHANGGUI 2009-11-05 — — US 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-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition CHEK2, CHEK1, PLK1 ACKR3 3285/4885GLS 1898/4885FNTA 1917/4885
US-20130143887-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, PLK1 ACKR3 3285/4885GLS 1898/4885FNTA 1917/4885

“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.