SCHEMBL3759465

SCHEMBL3759465

COc1ccc(Nc2nnc(C)c3ccccc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.64
MAPT P10636 4/20 0.61
LMNA P02545 1/20 0.61
RXFP1 Q9HBX9 3/20 0.59
ENPP3 O14638 2/20 0.59
POLB P06746 2/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GAA P10253 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
EPAS1 Q99814 1/20 0.55
TP53 P04637 1/20 0.54

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
SCHEMBL3759288 0.83 KDR (0.63) KDRMAPTLMNAENPP3NPC1
SCHEMBL4075273 0.81 POLB (0.68) KDRMAPTRXFP1ENPP3POLB
SCHEMBL3021512 0.81 MAPT (0.81) KDRMAPTLMNAENPP3POLB
SCHEMBL3342348 0.78 GAA (0.65) KDRMAPTLMNARXFP1POLB
SCHEMBL2307850 0.78 NPC1 (0.52) KDRMAPTLMNAPOLBNPC1
SCHEMBL7918628 0.78 MAPT (0.81) KDRMAPTLMNAENPP3POLB
SCHEMBL5391817 0.78 RXFP1 (0.58) RXFP1ENPP3POLBCA2CA9
SCHEMBL3024303 0.76 MAPT (1.00) KDRMAPTLMNAENPP3POLB
SCHEMBL2211831 0.76 MAPT (1.00) KDRMAPTLMNAENPP3POLB
Hydrochloric Acid SCHEMBL1396134 0.76 MAPT (0.97) KDRMAPTLMNAENPP3POLB

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.