SCHEMBL3461641

SCHEMBL3461641

Clc1ccc2nc(-c3ccncc3)nc(Cl)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 3/20 0.49
KDM4E B2RXH2 3/20 0.49
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
DUSP3 P51452 1/20 0.43
PTPN11 Q06124 1/20 0.43
TGFBR1 P36897 1/20 0.43
PDE5A O76074 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK1 Q13464 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL3575071 0.86 MAPK1 (0.67) MAPK1RAB9ANPC1HTTMAPT
SCHEMBL3459657 0.84 HTT (0.49) MAPK1RAB9ANPC1HTTMAPT
SCHEMBL3461750 0.84 MAPK1 (0.51) MAPK1RAB9ANPC1HTTMAPT
SCHEMBL13272970 0.84 MAPK1 (0.51) MAPK1RAB9ANPC1HTTMAPT
SCHEMBL3972857 0.82 NPC1 (0.50) MAPK1RAB9ANPC1HTTKDM4E
SCHEMBL2154602 0.81 PDE5A (0.62) MAPK1RAB9ANPC1HTTMAPT
Hydrochloric Acid SCHEMBL7280013 0.80 PDE5A (0.63) MAPK1RAB9ANPC1HTTMAPT
SCHEMBL3461416 0.79 MAPT (0.59) MAPK1HTTMAPTKDM4ETGFBR1
SCHEMBL20299238 0.79 LATS1 (0.49) MAPTKDM4EPDE5AMEN1KMT2A
SCHEMBL5309273 0.76 KDM1A (0.49) MAPK1RAB9ANPC1HTT

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 MAPK1 263/4885RAB9A 3880/4885NPC1 4467/4885

“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.