SCHEMBL3754426

SCHEMBL3754426

c1ccc(Nc2nnnc3ncccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 12/20 0.57
EGFR P00533 2/20 0.47
DAPK3 O43293 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
ERBB2 P04626 1/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
LTK P29376 1/20 0.47
MAPK8 P45983 1/20 0.47
CSNK1A1 P48729 1/20 0.47
RPS6KA3 P51812 1/20 0.47
LIMK1 P53667 1/20 0.47
MAP2K1 Q02750 1/20 0.47
ACVR1 Q04771 1/20 0.47
TYRO3 Q06418 1/20 0.47
MAP4K2 Q12851 1/20 0.47
ROCK1 Q13464 1/20 0.47
DYRK1A Q13627 1/20 0.47
MAPK14 Q16539 1/20 0.47

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
SCHEMBL3757318 0.79 MEN1 (0.69) ABCG2EGFRDAPK3MAP4K4ABL1
SCHEMBL7535445 0.78 EGFR (0.68) ABCG2EGFRDAPK3MAP4K4ABL1
SCHEMBL2256426 0.74 ABCG2 (0.67) ABCG2EGFRKDRNPY5R
SCHEMBL3765316 0.72 ABCG2 (0.46) ABCG2EGFRDAPK3MAP4K4ABL1
SCHEMBL23888750 0.71 HSD17B10 (0.55) ABCG2EGFRDAPK3MAP4K4ABL1
SCHEMBL7902892 0.71 ABCG2 (0.62) ABCG2PIM1
SCHEMBL3116173 0.70 HSD17B10 (0.48) ABCG2EGFRDAPK3MAP4K4ABL1
SCHEMBL3761733 0.69 EGFR (0.63) ABCG2EGFRERBB2MEN1RAB9A
SCHEMBL10338919 0.68 GOT1 (0.61) ABCG2EGFRDAPK3MAP4K4ABL1
SCHEMBL3757886 0.68 MEN1 (0.68) ABCG2EGFRDAPK3MAP4K4ABL1

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 ABCG2 1524/4885EGFR 3245/4885DAPK3 148/4885

“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.