SCHEMBL14730710

SCHEMBL14730710

O=C(NC1CCNC1)c1ccc2[nH]c3c(c2c1)C1(CCCC3=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.45
JAK2 O60674 1/20 0.45
RAB9A P51151 2/20 0.43
SMYD3 Q9H7B4 5/20 0.40
FLT3 P36888 1/20 0.40
NPC1 O15118 1/20 0.39
SUV39H1 O43463 2/20 0.39
PRMT1 Q99873 2/20 0.39
KLKB1 P03952 2/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
PARP1 P09874 1/20 0.37

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
SCHEMBL14730811 0.84 LMNA (0.45) RAB9A
SCHEMBL14730704 0.82 KDR (0.43) KDRJAK2RAB9ASMYD3FLT3
SCHEMBL14730749 0.82 KDR (0.44) KDRJAK2RAB9ASMYD3FLT3
SCHEMBL14730719 0.81 KDM4E (0.44) FLT3PARP1
SCHEMBL14730703 0.80 KDR (0.44) KDRJAK2RAB9ASMYD3FLT3
SCHEMBL14730775 0.78 USP30 (0.49) KDRPARP1
SCHEMBL14731406 0.78 FLT3 (0.41) KDRJAK2RAB9ASMYD3FLT3
SCHEMBL14730718 0.77 HSD17B10 (0.51) KDRJAK2RAB9AFLT3NPC1
SCHEMBL14730796 0.77 KDR (0.46) KDRJAK2RAB9ASMYD3FLT3
SCHEMBL14730722 0.77 KDR (0.46) KDRJAK2RAB9ASMYD3FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
WO-2013026163-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 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-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS HCCS, C1R, HAVCR2 KDR 4426/4885JAK2 3717/4885RAB9A 1404/4885

“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.