SCHEMBL15760951

SCHEMBL15760951

CNc1nc(Cl)nc2nc[nH]c(=O)c12

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.62
TNNI3K Q59H18 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PARP1 P09874 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TMIGD3 P0DMS9 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL15760955 0.80 XDH (0.39) XDHALDH1A1KDM4EPARP1TMIGD3
SCHEMBL15803493 0.79 CYP1A2 (0.45) XDHALDH1A1KDM4EPARP1SMN1; SMN2
SCHEMBL1996891 0.77 XDH (1.00) XDHTNNI3KKDM4ESMN1; SMN2TMIGD3
SCHEMBL15760952 0.74 PARP1 (0.43) XDHALDH1A1PARP1
SCHEMBL15760950 0.74 PDPK1 (0.40) XDHALDH1A1PARP1
SCHEMBL15760947 0.69 PARP1 (0.38) XDHPARP1TMIGD3
SCHEMBL130696 0.68 XDH (0.57) XDH
SCHEMBL18742201 0.68 PARP1 (0.42) ALDH1A1PARP1
SCHEMBL11295050 0.67 PARP1 (0.49) ALDH1A1KDM4EPARP1
SCHEMBL15760953 0.67 PDPK1 (0.39) XDHALDH1A1KDM4EPARP1TMIGD3

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-20140171429-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-19 US disclosed
US-20140155389-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-05 US 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 (2 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-20140171429-A1 BICYCLIC INHIBITORS OF ALK ALK, ACVR1, ACVR1B XDH 1213/4885TNNI3K 276/4885ALDH1A1 161/4885
US-20140155389-A1 BICYCLIC INHIBITORS OF ALK ALK, ABL1, BOD1L1 XDH 603/4885TNNI3K 251/4885ALDH1A1 140/4885

“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.