SCHEMBL4110247

SCHEMBL4110247

Cc1cc(-c2ccncc2)cc(C)c1Sc1nc(N(C(=O)O)c2ccc(C#N)cc2)nc2ccn(C)c12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ITK Q08881 1/20 0.32
KDR P35968 1/20 0.30
SCN9A Q15858 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
XDH P47989 1/20 0.30

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
SCHEMBL4113530 0.89 MYC (0.32) MYCCYP2C9CYP2C19
SCHEMBL4099220 0.89 CRHR1 (0.34) KDR
SCHEMBL4111997 0.86 CYP2C9 (0.37) MYCCYP2C9CYP2C19ITKKDR
SCHEMBL13517073 0.86 CRHR1 (0.31) MYC
SCHEMBL4110951 0.78 CRHR1 (0.34)
SCHEMBL4106712 0.77 CYP2C19 (0.50) CYP2C9CYP2C19MAPKAPK2
SCHEMBL10195623 0.77 MYC (0.32) MYCCYP2C9CYP2C19SCN9A
SCHEMBL4110252 0.76 CYP2C9 (0.35) MYCCYP2C9CYP2C19SCN9A
SCHEMBL3842214 0.73 CRHR1 (0.36) CYP2C9CYP2C19KDRSCN9A
SCHEMBL10476742 0.72 LATS1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS Andrea Boesciences, Inc. (US) 2012-11-01 US disclosed
EP-2220091-B1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2012-07-25 EP disclosed
US-8207178-B2 Fused pyrimidines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-06-26 US disclosed
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES (US) 2009-06-25 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-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP MYC 2371/4885CYP2C9 2156/4885CYP2C19 1979/4885
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP MYC 2371/4885CYP2C9 2156/4885CYP2C19 1979/4885

“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.