SCHEMBL1633911

SCHEMBL1633911

CN(CCCNC(=O)OC(C)(C)C)c1cc(C(Sc2ccc(Cl)cc2)c2cc(F)ccc2F)c(Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
ACVR1B P36896 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
IDO1 P14902 2/20 0.35
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DRD2 P14416 4/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33

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
SCHEMBL1632957 0.86 HTR2C (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1630749 0.85 STK17B (0.47) STK17BSTK17AACVR1BTGFBR1ACVRL1
SCHEMBL1632500 0.84 PSEN1 (0.40) STK17BSTK17AACVR1BTGFBR1ACVRL1
SCHEMBL1633155 0.83 ACVR1B (0.40) STK17BSTK17AACVR1BTGFBR1ACVRL1
SCHEMBL1632142 0.83 PSEN1 (0.35) KMT2ANPSR1PSEN1PSEN2APH1B
SCHEMBL4823133 0.81 NTRK1 (0.34) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL1632760 0.76 CCNT1 (0.39) STK17BSTK17AACVR1BTGFBR1ACVRL1
SCHEMBL12724241 0.73 CDK9 (0.40) P2RX3
SCHEMBL12724019 0.73 RAF1 (0.39) KMT2AMEN1HPGDLMNA
SCHEMBL1632899 0.72 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-20060241302-A1 Morpholine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-10-26 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 (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-20060241302-A1 Morpholine derivatives APP, BACE1, SMS STK17B 850/4885STK17A 696/4885ACVR1B 758/4885

“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.