SCHEMBL6469331

SCHEMBL6469331

Cc1[nH]cc(-c2ccc(C#N)cc2)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
GRM2 Q14416 1/20 0.44
KDM1A O60341 9/20 0.40
PARP2 Q9UGN5 2/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP1 P09874 2/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
CASP1 P29466 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
NSD2 O96028 1/20 0.38
MAP2 P11137 1/20 0.37
CYP11B2 P19099 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
SCHEMBL5370251 0.87 HTT (0.49) HTTGRM2KDM1ACYP11B2
SCHEMBL6464873 0.83 HTT (0.68) HTTKDM1A
SCHEMBL4919275 0.80 HTT (0.49) HTTKDM1A
SCHEMBL11200539 0.80 HTT (0.67) HTTPARP1CCNCCDK8IRAK4
SCHEMBL6464844 0.75 HTT (0.53) HTT
SCHEMBL6467825 0.75 KMT2A (0.47) HTTGRM2PARP2PARP15PARP10
SCHEMBL6469620 0.74 CYP11B2 (0.42) KDM1ACYP11B2
SCHEMBL13712820 0.70 KDR (0.38) HTTKDM1A
SCHEMBL6466967 0.70 MAP2 (0.42) HTTGRM2PARP2PARP15PARP10
SCHEMBL6466372 0.70 MAP2 (0.42) GRM2PARP2PARP15PARP10PARP1

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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR HTT 3428/4885GRM2 841/4885KDM1A 2154/4885

“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.