SCHEMBL3754268

SCHEMBL3754268

Cc1ccc2c(CN)nnc(Cl)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
LMNA P02545 4/20 0.35
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR2A P28223 2/20 0.32
HTR1D P28221 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
RAD52 P43351 1/20 0.30
NPC1 O15118 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL30040888 0.81 LMNA (0.44) LMNAKDM4EKMT2ANPSR1ALDH1A1
SCHEMBL3759501 0.81 LMNA (0.44) LMNAKDM4EKMT2ANPSR1ALDH1A1
SCHEMBL4814239 0.76 FLT1 (0.64) FLT1KDR
SCHEMBL23562822 0.76 LMNA (0.40) LMNAKDM4EKMT2ANPSR1ALDH1A1
SCHEMBL4817664 0.71 FLT1 (0.62) FLT1KDR
SCHEMBL3754272 0.70 ALDH1A1 (0.46) FLT1KDRLMNAKDM4EKMT2A
SCHEMBL4893783 0.69 LMNA (0.38) FLT1KDRLMNAKDM4EKMT2A
SCHEMBL27384792 0.65 NPSR1 (0.46) LMNAKDM4EKMT2ANPSR1HTR2A
SCHEMBL4834418 0.64 CNR1 (0.45) LMNAKDM4EKMT2ANPSR1ALDH1A1
SCHEMBL23087662 0.63 PRMT5 (0.65) PRMT5WDR77

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 2 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
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

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 FLT1 2647/4885KDR 2808/4885LMNA 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.