SCHEMBL2284581

SCHEMBL2284581

Cc1cc(Oc2ccnc3cc(I)sc23)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDR P35968 17/20 0.38
FLT1 P17948 12/20 0.38
PDGFRB P09619 1/20 0.36
PDGFRA P16234 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
SCHEMBL2282096 0.83 MEN1 (0.39) MAPTKDRFLT1PDGFRBPDGFRA
SCHEMBL2285231 0.80 GRIN3B (0.35) KDRFLT1
SCHEMBL2284437 0.79 SMN1; SMN2 (0.33) KDRFLT1
SCHEMBL2282899 0.74 KDR (0.38) NPC1MAPTHTTRAB9AL3MBTL1
SCHEMBL2280273 0.74 MPO (0.34) KDRFLT1PDGFRBPDGFRA
SCHEMBL18418112 0.73 MAPT (0.36) NPC1MAPTHTTRAB9AL3MBTL1
SCHEMBL18418120 0.73 KDR (0.38) NPC1MAPTHTTRAB9AL3MBTL1
SCHEMBL2602329 0.72 KDR (0.40) MAPTKDRFLT1PDGFRBPDGFRA
SCHEMBL167759 0.72 PDGFRB (0.71) KDRPDGFRBPDGFRA
SCHEMBL13186320 0.71 GRIN2D (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
EP-1989211-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER Array Biopharma, Inc. (US) 2008-11-12 EP disclosed
WO-2008063202-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2008-05-29 WO disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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 (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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC NPC1 1260/4885MAPT 4444/4885HTT 2990/4885

“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.