SCHEMBL10000200

SCHEMBL10000200

c1nc(Nc2ccc(Oc3ccc(Nc4ncnc5[nH]cnc45)cc3)cc2)c2nc[nH]c2n1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 19/20 0.56
TTBK2 Q6IQ55 17/20 0.56
KDR P35968 1/20 0.48
TEK Q02763 1/20 0.48

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
SCHEMBL28048062 0.94 TTBK1 (0.64) TTBK1TTBK2KDRTEK
SCHEMBL4913780 0.88 TTBK1 (0.62) TTBK1TTBK2KDR
SCHEMBL4923711 0.84 TTBK1 (0.64) TTBK1TTBK2
SCHEMBL30677302 0.83 EGFR (0.54) TTBK1TTBK2
SCHEMBL4922514 0.83 MKNK1 (0.61) TTBK1TTBK2
SCHEMBL4926094 0.83 EGFR (0.54) TTBK1TTBK2
SCHEMBL4921635 0.83 MKNK1 (0.54) TTBK1TTBK2KDR
SCHEMBL4498466 0.83 TTBK1 (0.59) TTBK1TTBK2KDR
SCHEMBL4923801 0.83 TTBK1 (0.59) TTBK1TTBK2KDR
SCHEMBL28048041 0.82 TTBK1 (0.47) TTBK1TTBK2KDR

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-8518965-B2 Compositions and methods for treating cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2013-08-27 US disclosed
US-8518965-B2 Compositions and methods for treating cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2013-08-27 US disclosed
US-20120165365-A1 Compositions and Methods for Treating Cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2012-06-28 US disclosed
US-20120165365-A1 Compositions and Methods for Treating Cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2012-06-28 US disclosed
WO-2011016952-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TRUSTEES OF DARTMOUTH COLLEGE (US) 2011-02-10 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-20120165365-A1 Compositions and Methods for Treating Cancer MKI67, DCX, NES TTBK1 1106/4885TTBK2 822/4885KDR 2824/4885

“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.