SCHEMBL2194148

SCHEMBL2194148

O=C(Nc1ccc(-c2cnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@H]4CCCN4)cc3)o2)cc1)[C@@H]1CCCN1C(=O)[C@H]1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 3/20 0.46
▸ SCN9A Q15858 2/20 0.46
▸ DPP4 P27487 8/20 0.44
▸ DPP8 Q6V1X1 2/20 0.44
▸ JAK2 O60674 2/20 0.42
▸ PDGFRB P09619 2/20 0.42
▸ FLT3 P36888 2/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ MAP3K9 P80192 1/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ CIT O14578 1/20 0.42

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
SCHEMBL2193908 1.00 SCN3A (0.46) SCN3ASCN9ADPP4DPP8JAK2
SCHEMBL14664066 0.87 SMO (0.46) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL13570409 0.87 SMO (0.46) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL12490017 0.86 SMO (0.45) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL13571673 0.86 ALDH1A1 (0.47) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL12489110 0.86 SCN3A (0.59) SCN3ASCN9AJAK2PDGFRBFLT3
SCHEMBL14828738 0.86 SCN3A (0.59) SCN3ASCN9AJAK2PDGFRBFLT3
SCHEMBL13570367 0.85 CNR2 (0.48) JAK1KDM4EMEN1NPC1ALDH1A1
SCHEMBL2196787 0.85 ALDH1A1 (0.49) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL2194270 0.83 MEN1 (0.44) JAK2KDM4EMEN1NPC1ALDH1A1

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-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 — — US claimed
EP-2519506-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-11-07 — — EP claimed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 — — US claimed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 — — WO claimed

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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 SCN3A 4081/4885SCN9A 3921/4885DPP4 932/4885

“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.

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