SCHEMBL3915405

SCHEMBL3915405

Cc1csc(NC(=O)c2ccncc2NC(=O)c2ccc(N3CCCC3)cc2OC2CCN(OC(C)(C)C)C(=C=O)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.37
PIM3 Q86V86 2/20 0.37
GRM5 P41594 4/20 0.36
PIM2 Q9P1W9 1/20 0.35
GPR6 P46095 5/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
MAP3K7 O43318 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL3907747 0.87 GPR6 (0.34) PIM3PIM2GPR6KDM4CMAP3K7
SCHEMBL3904310 0.86 TOP2A (0.40) PIM1PIM3GRM5PIM2GPR6
SCHEMBL8285039 0.83 GRM5 (0.43) PIM1PIM3GRM5PIM2GPR6
Trifluoroacetic Acid SCHEMBL3902573 0.80 PIM1 (0.41) PIM1PIM3GRM5PIM2GPR6
SCHEMBL3904985 0.79 MAPT (0.42) KDM4ESMN1; SMN2ALDH1A1MAPK1KMT2A
SCHEMBL3905636 0.77 GPR6 (0.41) GPR6KDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL3156720 0.77 ALDH1A1 (0.42) GRM5KDM4ENPC1MITFRAB9A
SCHEMBL3903857 0.75 TBK1 (0.40) GPR6
SCHEMBL3161720 0.74 RXFP1 (0.45) GRM5KDM4ENPC1MITFRAB9A
SCHEMBL8287702 0.72 PTGDR (0.40) GPR6NPC1RAB9AMAPK1MAP3K7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511066-B2 Antithrombotic aromatic ethers ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-20070027185-A1 Antithrombotic aromatic ethers ELILILLY AND COMPANY (US) 2007-02-01 US disclosed
EP-1670783-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005049604-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2005-06-02 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 (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-20070027185-A1 Antithrombotic aromatic ethers F2, F11, TFPI PIM1 1670/4885PIM3 3149/4885GRM5 4767/4885

“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.