SCHEMBL3459399

SCHEMBL3459399

Cc1ccc2c(Cl)nc(-c3ccncc3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
MAPT P10636 3/20 0.44
LATS1 O95835 5/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LATS2 Q9NRM7 3/20 0.41
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL5504998 0.83 NPC1 (0.46) POLBNPC1RAB9AMAPTMEN1
SCHEMBL3459588 0.81 POLB (0.46) POLBNPC1RAB9AMAPTLATS1
SCHEMBL24392349 0.81 PDGFRB (0.52) NPC1RAB9AMAPTLATS1KDM4E
SCHEMBL15483468 0.79 MAPT (0.67) POLBMAPTLATS1KDM4EALDH1A1
SCHEMBL27912718 0.78 POLB (0.43) POLBNPC1RAB9AMAPTLATS1
SCHEMBL3461416 0.77 MAPT (0.59) POLBMAPTKDM4EALDH1A1MEN1
SCHEMBL15645641 0.77 LATS1 (0.61) LATS1LATS2
SCHEMBL29589358 0.76 WHR1 (0.54) NPC1MAPTKDM4EALDH1A1MEN1
SCHEMBL3469022 0.76 WHR1 (0.54) NPC1MAPTKDM4EALDH1A1MEN1
SCHEMBL27694108 0.75 CYP1A2 (0.53) POLBNPC1RAB9AMAPTKDM4E

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-7763627-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2010-07-27 US disclosed
EP-1610774-A4 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-07-16 EP disclosed
US-20070161651-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2007-07-12 US disclosed
EP-1610774-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-01-04 EP disclosed
WO-2004092196-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2004-10-28 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-20070161651-A1 Tie-2 modulators and methods of use TIE1, TEK, KDR POLB 3691/4885NPC1 4467/4885RAB9A 3880/4885

“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.