SCHEMBL3759288

SCHEMBL3759288

COc1ccc(Nc2nnc(Cl)c3ccccc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.63
MAPT P10636 3/20 0.60
LMNA P02545 1/20 0.60
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ENPP3 O14638 1/20 0.54
EPAS1 Q99814 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
NPY5R Q15761 1/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 1/20 0.51
THRB P10828 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL3759465 0.83 KDR (0.64) KDRMAPTLMNAMEN1KMT2A
SCHEMBL6496240 0.82 KDR (0.58) KDRENPP3SMN1; SMN2NPC1RAB9A
SCHEMBL10338919 0.82 GOT1 (0.61) KDRMAPTLMNAMEN1KMT2A
SCHEMBL3764417 0.81 SHMT2 (0.60) KDRMAPTLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL6502127 0.81 KDR (0.57) KDRENPP3SMN1; SMN2NPC1RAB9A
SCHEMBL6505060 0.80 MAPT (0.57) KDRMAPTMEN1KMT2AENPP3
SCHEMBL3021512 0.79 MAPT (0.81) KDRMAPTLMNAMEN1KMT2A
SCHEMBL787957 0.78 KDR (0.53) KDREPAS1
SCHEMBL2199977 0.77 KDR (0.46) KDRMAPTLMNAMEN1KMT2A
SCHEMBL2206991 0.77 FGFR2 (0.47) KDRMAPTLMNASMN1; SMN2HTT

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-7842805-B2 Pharmaceutical compounds as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2010-11-30 US disclosed
EP-1833803-A4 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS INC (US) 2009-08-05 EP disclosed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US disclosed
EP-1833803-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2007-09-19 EP disclosed
WO-2006074223-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2006-07-13 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-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP3, CASP2, CASP5 KDR 2808/4885MAPT 2963/4885LMNA 933/4885

“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.