SCHEMBL1983504

SCHEMBL1983504

CCOC(=O)c1sc(-c2cc(C#N)c3c(c2)c(C)cn3C)nc1C

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 0.65
CDC7 O00311 3/20 0.49
DBF4 Q9UBU7 3/20 0.49
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
PGR P06401 1/20 0.42
CHRM1 P11229 1/20 0.42
PDE4A P27815 1/20 0.42
BLVRB P30043 1/20 0.42
TARBP2 Q15633 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
LMNA P02545 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1986815 0.86 XDH (0.77) XDHKDM4EALDH1A1ABCC4ABCB11
SCHEMBL1982927 0.83 XDH (0.54) XDHCDC7DBF4KDM4EALDH1A1
SCHEMBL3709822 0.83 XDH (0.54) XDHCDC7DBF4KDM4EALDH1A1
SCHEMBL3707310 0.81 XDH (0.58) XDHCDC7DBF4KDM4EALDH1A1
SCHEMBL20195691 0.81 CDC7 (0.55) XDHCDC7DBF4KDM4EALDH1A1
SCHEMBL3712152 0.80 XDH (0.53) XDHCDC7DBF4KDM4EALDH1A1
SCHEMBL12373472 0.79 XDH (1.00) XDHKDM4EALDH1A1ABCC4ABCB11
SCHEMBL2186318 0.78 CDC7 (0.55) XDHCDC7DBF4KDM4EALDH1A1
SCHEMBL12373475 0.78 XDH (1.00) XDHKDM4EALDH1A1ABCC4ABCB11
SCHEMBL3710935 0.78 CDC7 (0.49) XDHCDC7DBF4KDM4EALDH1A1

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-20110201815-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-18 US disclosed
EP-2338887-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2011-06-29 EP 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-20110201815-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, PON1, CBR1 XDH 1/4885CDC7 3107/4885DBF4 3228/4885

“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.