SCHEMBL10000199

SCHEMBL10000199

c1ccc2c(Nc3ccc(Oc4ccc(Nc5nccc6ccccc56)cc4)cc3)nccc2c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.56
TEK Q02763 1/20 0.56
ERBB2 P04626 1/20 0.52
TTBK1 Q5TCY1 3/20 0.49
TTBK2 Q6IQ55 3/20 0.49
EGFR P00533 2/20 0.46
RIPK2 O43353 1/20 0.45
EPHB2 P29323 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIN1 Q13526 1/20 0.44
FDPS P14324 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TNF P01375 2/20 0.43

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
SCHEMBL31098947 0.88 RAB9A (0.59) KDREGFRRAB9ANPC1HTT
SCHEMBL1921849 0.84 ABCG2 (0.53) ERBB2TTBK1TTBK2EGFRRAB9A
SCHEMBL30012613 0.84 EPHX2 (0.56) TTBK1TTBK2RAB9ANPC1SMN1; SMN2
SCHEMBL23607654 0.84 EPHX2 (0.56) TTBK1TTBK2RAB9ANPC1SMN1; SMN2
SCHEMBL3759489 0.83 F12 (0.52) KDREGFRRAB9ANPC1HTT
Hydrochloric Acid SCHEMBL30012600 0.83 EPHX2 (0.55) TTBK1TTBK2RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL23607653 0.83 EPHX2 (0.55) TTBK1TTBK2RAB9ANPC1SMN1; SMN2
SCHEMBL4497329 0.82 ABCG2 (0.58) TTBK1TTBK2EGFRRAB9ANPC1
SCHEMBL20356687 0.82 NPC1 (0.56) EGFRRAB9ANPC1HTTSMN1; SMN2
SCHEMBL20852287 0.82 EGFR (0.60) KDREGFRRAB9ANPC1FDPS

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 KDR 2824/4885TEK 1710/4885ERBB2 305/4885

“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.